N-(4-chloranyl-2-methyl-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-chloro-2-methylphenyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-chloro-2-methylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H29ClN4O2+2 MolecularWeight: 380.91216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C19H27ClN4O2/c1-15-12-16(20)4-5-17(15)21-18(25)13-22-8-10-23(11-9-22)14-19(26)24-6-2-3-7-24/h4-5,12H,2-3,6-11,13-14H2,1H3,(H,21,25)/p+2