N-[2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-propan-2-yl-ethanediamide

Systemtic Name: N-[2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-propan-2-yl-ethanediamide Openeye Name: N'-isopropyl-N-[2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N-[2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-propan-2-yloxamide IUPAC Name: N-[2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide Traditional Name: N'-isopropyl-N-[2-(4-m-toluoylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NC(C)C

InChI

InChI=1S/C19H28N4O3/c1-14(2)21-18(25)17(24)20-7-8-22-9-11-23(12-10-22)19(26)16-6-4-5-15(3)13-16/h4-6,13-14H,7-12H2,1-3H3,(H,20,24)(H,21,25)/p+1