3-chloranyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-benzothiophene-2-carboxamide Formula: C23H26ClN2O2S+ MolecularWeight: 429.98274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4)Cl

InChI

InChI=1S/C23H25ClN2O2S/c1-15-5-10-18-20(13-15)29-22(21(18)24)23(27)25-14-19(26-11-3-4-12-26)16-6-8-17(28-2)9-7-16/h5-10,13,19H,3-4,11-12,14H2,1-2H3,(H,25,27)/p+1/t19-/m1/s1