(1-oxidanidylpyridin-1-ium-3-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-oxidanidylpyridin-1-ium-3-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: (1-oxido-3-pyridin-1-iumyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(1-oxidopyridin-1-ium-3-yl)methanone Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C[N+](=CC=C2)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C[N+](=CC=C2)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2/c22-18(17-8-4-11-21(23)15-17)20-10-5-9-19(12-13-20)14-16-6-2-1-3-7-16/h1-4,6-8,11,15H,5,9-10,12-14H2