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

Systemtic Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3,4-trimethoxy-benzamide Openeye Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3,4-trimethoxy-benzamide CAS Name: N-[(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2,3,4-trimethoxybenzamide IUPAC Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2,3,4-trimethoxybenzamide Traditional Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3,4-trimethoxy-benzamide Formula: C22H28ClN2O4+ MolecularWeight: 419.92172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)NC[C@H](C2=CC=CC=C2Cl)[NH+]3CCCC3)OC)OC

InChI

InChI=1S/C22H27ClN2O4/c1-27-19-11-10-16(20(28-2)21(19)29-3)22(26)24-14-18(25-12-6-7-13-25)15-8-4-5-9-17(15)23/h4-5,8-11,18H,6-7,12-14H2,1-3H3,(H,24,26)/p+1/t18-/m1/s1