1-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C25H35N5O2+2 MolecularWeight: 437.5777

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O2/c26-25(32)21-10-12-28(13-11-21)19-24(31)27-22-6-8-23(9-7-22)30-16-14-29(15-17-30)18-20-4-2-1-3-5-20/h1-9,21H,10-19H2,(H2,26,32)(H,27,31)/p+2