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

Systemtic Name: 1-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C24H33N5O2+2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H31N5O2/c30-23(29-18-16-28(17-19-29)22-8-4-5-12-25-22)11-15-27-13-9-20(10-14-27)24(31)26-21-6-2-1-3-7-21/h1-8,12,20H,9-11,13-19H2,(H,26,31)/p+2