N-(3-methylphenyl)-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(3-methylphenyl)-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-(m-tolyl)-2-[[2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(3-methylphenyl)-2-[[1-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]amino]benzamide IUPAC Name: N-(3-methylphenyl)-2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetyl]amino]-N-(m-tolyl)benzamide Formula: C26H34N5O3+ MolecularWeight: 464.57986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C26H33N5O3/c1-20-7-6-8-21(17-20)27-26(34)22-9-2-3-10-23(22)28-24(32)18-29-13-15-30(16-14-29)19-25(33)31-11-4-5-12-31/h2-3,6-10,17H,4-5,11-16,18-19H2,1H3,(H,27,34)(H,28,32)/p+1