N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(4-ethoxyphenyl)ethanediamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(4-ethoxyphenyl)ethanediamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(4-ethoxyphenyl)oxamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-N'-(4-ethoxyphenyl)oxamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-N'-(4-ethoxyphenyl)oxamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-p-phenetyl-oxamide Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

InChI

InChI=1S/C24H32N4O3/c1-4-31-21-13-9-19(10-14-21)26-24(30)23(29)25-17-22(28-15-5-6-16-28)18-7-11-20(12-8-18)27(2)3/h7-14,22H,4-6,15-17H2,1-3H3,(H,25,29)(H,26,30)/p+1/t22-/m1/s1