6-chloranyl-N-(4-methyl-2-piperidin-1-yl-quinolin-1-ium-6-yl)pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-(4-methyl-2-piperidin-1-yl-quinolin-1-ium-6-yl)pyridine-3-carboxamide Openeye Name: 6-chloro-N-[4-methyl-2-(1-piperidyl)quinolin-1-ium-6-yl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[4-methyl-2-(1-piperidinyl)-6-quinolin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-(4-methyl-2-piperidin-1-ylquinolin-1-ium-6-yl)pyridine-3-carboxamide Traditional Name: 6-chloro-N-(4-methyl-2-piperidino-quinolin-1-ium-6-yl)nicotinamide Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=C(C=C2)NC(=O)C3=CN=C(C=C3)Cl)N4CCCCC4

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=C(C=C2)NC(=O)C3=CN=C(C=C3)Cl)N4CCCCC4

InChI

InChI=1S/C21H21ClN4O/c1-14-11-20(26-9-3-2-4-10-26)25-18-7-6-16(12-17(14)18)24-21(27)15-5-8-19(22)23-13-15/h5-8,11-13H,2-4,9-10H2,1H3,(H,24,27)/p+1