6-(4-ethylpiperazin-1-yl)-N-[3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propyl]pyridine-3-carboxamide

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-N-[3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propyl]pyridine-3-carboxamide Openeye Name: 6-(4-ethylpiperazin-1-yl)-N-[3-(2-isopropyl-1H-imidazol-3-ium-3-yl)propyl]pyridine-3-carboxamide CAS Name: 6-(4-ethyl-1-piperazinyl)-N-[3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-ethylpiperazin-1-yl)-N-[3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propyl]pyridine-3-carboxamide Traditional Name: 6-(4-ethylpiperazino)-N-[3-(2-isopropyl-1H-imidazol-3-ium-3-yl)propyl]nicotinamide Formula: C21H33N6O+ MolecularWeight: 385.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCC[N+]3=C(NC=C3)C(C)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCC[N+]3=C(NC=C3)C(C)C

InChI

InChI=1S/C21H32N6O/c1-4-25-12-14-26(15-13-25)19-7-6-18(16-24-19)21(28)23-8-5-10-27-11-9-22-20(27)17(2)3/h6-7,9,11,16-17H,4-5,8,10,12-15H2,1-3H3,(H,23,28)/p+1