(3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-oxidanylidene-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

Systemtic Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-oxidanylidene-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide Openeye Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1-(3-isopropylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-5-oxo-1-(3-propan-2-ylphenyl)-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide Traditional Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-keto-1-m-cumenyl-pyrrolidine-3-carboxamide Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC(=C4)C(C)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)[C@@H]3CC(=O)N(C3)C4=CC=CC(=C4)C(C)C)C

InChI

InChI=1S/C27H36N4O2/c1-5-29-11-13-30(14-12-29)23-9-10-25(20(4)15-23)28-27(33)22-17-26(32)31(18-22)24-8-6-7-21(16-24)19(2)3/h6-10,15-16,19,22H,5,11-14,17-18H2,1-4H3,(H,28,33)/p+1/t22-/m1/s1