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

Systemtic Name: (3R)-1-(2-ethoxyphenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3R)-1-(2-ethoxyphenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-1-(2-ethoxyphenyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-1-(2-ethoxyphenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-keto-1-o-phenetyl-pyrrolidine-3-carboxamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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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=C4OCC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)[C@@H]3CC(=O)N(C3)C4=CC=CC=C4OCC)C

InChI

InChI=1S/C26H34N4O3/c1-4-28-12-14-29(15-13-28)21-10-11-22(19(3)16-21)27-26(32)20-17-25(31)30(18-20)23-8-6-7-9-24(23)33-5-2/h6-11,16,20H,4-5,12-15,17-18H2,1-3H3,(H,27,32)/p+1/t20-/m1/s1