N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-diethoxy-benzamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-diethoxy-benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-diethoxy-benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,4-diethoxybenzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3,4-diethoxybenzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-diethoxy-benzamide Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3/c1-5-30-23-14-11-20(17-24(23)31-6-2)25(29)26-18-22(28-15-7-8-16-28)19-9-12-21(13-10-19)27(3)4/h9-14,17,22H,5-8,15-16,18H2,1-4H3,(H,26,29)/p+1/t22-/m1/s1