6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide

Systemtic Name: 6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide Openeye Name: 6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-[3-(2-pyridyl)propyl]pyridine-3-carboxamide CAS Name: 6-[4-(cyclopropylmethyl)-1-piperazin-4-iumyl]-N-[3-(2-pyridinyl)propyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide Traditional Name: 6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-[3-(2-pyridyl)propyl]nicotinamide Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(=O)NCCCC4=CC=CC=N4

Isomeric SMILES

C1CC1C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(=O)NCCCC4=CC=CC=N4

InChI

InChI=1S/C22H29N5O/c28-22(24-11-3-5-20-4-1-2-10-23-20)19-8-9-21(25-16-19)27-14-12-26(13-15-27)17-18-6-7-18/h1-2,4,8-10,16,18H,3,5-7,11-15,17H2,(H,24,28)/p+1