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

Systemtic Name: 6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide Openeye Name: 6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-N-[3-(2-pyridyl)propyl]pyridine-3-carboxamide CAS Name: 6-[(3S)-3-ethyl-4-methyl-1-piperazin-4-iumyl]-N-[3-(2-pyridinyl)propyl]-3-pyridinecarboxamide IUPAC Name: 6-[(3S)-3-ethyl-4-methylpiperazin-4-ium-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide Traditional Name: 6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-N-[3-(2-pyridyl)propyl]nicotinamide Formula: C21H30N5O+ MolecularWeight: 368.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C)C2=NC=C(C=C2)C(=O)NCCCC3=CC=CC=N3

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C)C2=NC=C(C=C2)C(=O)NCCCC3=CC=CC=N3

InChI

InChI=1S/C21H29N5O/c1-3-19-16-26(14-13-25(19)2)20-10-9-17(15-24-20)21(27)23-12-6-8-18-7-4-5-11-22-18/h4-5,7,9-11,15,19H,3,6,8,12-14,16H2,1-2H3,(H,23,27)/p+1/t19-/m0/s1