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

Systemtic Name: N-(4-ethoxyphenyl)-4-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[[2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[1-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetyl]amino]-N-p-phenetyl-benzamide Formula: C27H36N5O4+ MolecularWeight: 494.60584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C27H35N5O4/c1-2-36-24-11-9-23(10-12-24)29-27(35)21-5-7-22(8-6-21)28-25(33)19-30-15-17-31(18-16-30)20-26(34)32-13-3-4-14-32/h5-12H,2-4,13-20H2,1H3,(H,28,33)(H,29,35)/p+1