6-(4-propan-2-ylpiperazin-4-ium-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(4-propan-2-ylpiperazin-4-ium-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-(4-isopropylpiperazin-4-ium-1-yl)-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 6-(4-propan-2-yl-1-piperazin-4-iumyl)-N-[3-(2-pyridinyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(4-propan-2-ylpiperazin-4-ium-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-(4-isopropylpiperazin-4-ium-1-yl)-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide Formula: C21H31N5O+2 MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

InChI

InChI=1S/C21H29N5O/c1-17(2)25-12-14-26(15-13-25)20-9-8-18(16-24-20)21(27)23-11-5-7-19-6-3-4-10-22-19/h3-4,6,8-10,16-17H,5,7,11-15H2,1-2H3,(H,23,27)/p+2