6-[(3R)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(3R)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3R)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1-piperidyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(3R)-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1-piperidinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3R)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3R)-3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]piperidino]pyridin-1-ium-3-carboxamide Formula: C23H32N6O2+2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)C(=O)N)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)C(=O)N)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H30N6O2/c24-23(31)19-7-8-21(26-16-19)29-11-3-4-18(17-29)6-9-22(30)28-14-12-27(13-15-28)20-5-1-2-10-25-20/h1-2,5,7-8,10,16,18H,3-4,6,9,11-15,17H2,(H2,24,31)/p+2/t18-/m1/s1