N-[N-naphthalen-2-yl-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[N-naphthalen-2-yl-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[N-(2-naphthyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[(2-naphthalenylamino)-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[N-naphthalen-2-yl-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-naphthyl)amidino]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C29H32N6O4 MolecularWeight: 528.60218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC2=CC3=CC=CC=C3C=C2)NC(=O)C4=C[N+](=CC=C4)[O-])CC(=O)N5CCCC5

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC2=CC3=CC=CC=C3C=C2)NC(=O)C4=C[N+](=CC=C4)[O-])CC(=O)N5CCCC5

InChI

InChI=1S/C29H32N6O4/c36-26(33-14-5-6-15-33)20-34-16-4-3-11-25(28(34)38)31-29(32-27(37)23-10-7-17-35(39)19-23)30-24-13-12-21-8-1-2-9-22(21)18-24/h1-2,7-10,12-13,17-19,25H,3-6,11,14-16,20H2,(H2,30,31,32,37)