N-methyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: N-methyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide Openeye Name: N-methyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-(2-quinolylmethyl)pyridine-3-carboxamide CAS Name: N-methyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-(2-quinolinylmethyl)-3-pyridinecarboxamide IUPAC Name: N-methyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide Traditional Name: N-methyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-(2-quinolylmethyl)nicotinamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NC=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H27N5O/c1-26-12-5-13-28(15-14-26)22-11-9-19(16-24-22)23(29)27(2)17-20-10-8-18-6-3-4-7-21(18)25-20/h3-4,6-11,16H,5,12-15,17H2,1-2H3/p+1