6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide

Systemtic Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide Openeye Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[3-(2-pyridyl)propyl]pyridine-3-carboxamide CAS Name: 6-[(3S)-3,4-dimethyl-1-piperazin-4-iumyl]-N-[3-(2-pyridinyl)propyl]-3-pyridinecarboxamide IUPAC Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide Traditional Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[3-(2-pyridyl)propyl]nicotinamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C)C2=NC=C(C=C2)C(=O)NCCCC3=CC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O/c1-16-15-25(13-12-24(16)2)19-9-8-17(14-23-19)20(26)22-11-5-7-18-6-3-4-10-21-18/h3-4,6,8-10,14,16H,5,7,11-13,15H2,1-2H3,(H,22,26)/p+1/t16-/m0/s1