N'-(3-chloranyl-4-methyl-phenyl)-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanediamide

Systemtic Name: N'-(3-chloranyl-4-methyl-phenyl)-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanediamide Openeye Name: N'-(3-chloro-4-methyl-phenyl)-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]oxamide CAS Name: N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]oxamide IUPAC Name: N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]oxamide Traditional Name: N'-(3-chloro-4-methyl-phenyl)-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]oxamide Formula: C23H30ClN4O2+ MolecularWeight: 429.9629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3)Cl

InChI

InChI=1S/C23H29ClN4O2/c1-16-6-9-18(14-20(16)24)26-23(30)22(29)25-15-21(28-12-4-5-13-28)17-7-10-19(11-8-17)27(2)3/h6-11,14,21H,4-5,12-13,15H2,1-3H3,(H,25,29)(H,26,30)/p+1/t21-/m1/s1