2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanoylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[1-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetyl]amino]-N-phenylbenzamide Traditional Name: 2-[[2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetyl]amino]-N-phenyl-benzamide Formula: C25H32N5O3+ MolecularWeight: 450.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3/c31-23(18-28-14-16-29(17-15-28)19-24(32)30-12-6-7-13-30)27-22-11-5-4-10-21(22)25(33)26-20-8-2-1-3-9-20/h1-5,8-11H,6-7,12-19H2,(H,26,33)(H,27,31)/p+1