1-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-[4-[(1S)-1-methylpropyl]anilino]ethyl]pyridin-1-ium-3-carboxamide Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C18H21N3O2/c1-3-13(2)14-6-8-16(9-7-14)20-17(22)12-21-10-4-5-15(11-21)18(19)23/h4-11,13H,3,12H2,1-2H3,(H2-,19,20,22,23)/p+1/t13-/m0/s1