N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C22H34N4O2/c1-17(2)19-8-6-7-18(3)22(19)23-20(27)15-24-11-13-25(14-12-24)16-21(28)26-9-4-5-10-26/h6-8,17H,4-5,9-16H2,1-3H3,(H,23,27)/p+1