5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pentanamide

Systemtic Name: 5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pentanamide Openeye Name: 5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pentanamide CAS Name: 5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-N-[4-(1-pyrrolidinyl)phenyl]pentanamide IUPAC Name: 5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pentanamide Traditional Name: 5-keto-5-(4-pyridin-1-ium-2-ylpiperazino)-N-(4-pyrrolidinophenyl)valeramide Formula: C24H32N5O2+ MolecularWeight: 422.54318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CCCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CCCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H31N5O2/c30-23(26-20-9-11-21(12-10-20)27-14-3-4-15-27)7-5-8-24(31)29-18-16-28(17-19-29)22-6-1-2-13-25-22/h1-2,6,9-13H,3-5,7-8,14-19H2,(H,26,30)/p+1