3-(3-bromanyl-4-methoxy-phenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propionamide Formula: C20H26BrN2O2S+ MolecularWeight: 438.40164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCC(C2=CC=CS2)[NH+]3CCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3)Br

InChI

InChI=1S/C20H25BrN2O2S/c1-25-18-8-6-15(13-16(18)21)7-9-20(24)22-14-17(19-5-4-12-26-19)23-10-2-3-11-23/h4-6,8,12-13,17H,2-3,7,9-11,14H2,1H3,(H,22,24)/p+1/t17-/m0/s1