N-(3-methylphenyl)-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(3-methylphenyl)-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(isopropylamino)-2-oxo-ethyl]-N-(m-tolyl)-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[2-(isopropylamino)-2-keto-ethyl]-N-(m-tolyl)-6-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(=O)NC(C)C)C(=O)C2=C[NH+]=C(C=C2)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(=O)NC(C)C)C(=O)C2=C[NH+]=C(C=C2)N3CCCC3

InChI

InChI=1S/C22H28N4O2/c1-16(2)24-21(27)15-26(19-8-6-7-17(3)13-19)22(28)18-9-10-20(23-14-18)25-11-4-5-12-25/h6-10,13-14,16H,4-5,11-12,15H2,1-3H3,(H,24,27)/p+1