N-[3-[(S)-(4-bromophenyl)-pyrrolidin-1-ium-1-yl-methyl]-5-ethyl-thiophen-2-yl]benzamide

Systemtic Name: N-[3-[(S)-(4-bromophenyl)-pyrrolidin-1-ium-1-yl-methyl]-5-ethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[(S)-(4-bromophenyl)-pyrrolidin-1-ium-1-yl-methyl]-5-ethyl-2-thienyl]benzamide CAS Name: N-[3-[(S)-(4-bromophenyl)-(1-pyrrolidin-1-iumyl)methyl]-5-ethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(S)-(4-bromophenyl)-pyrrolidin-1-ium-1-ylmethyl]-5-ethylthiophen-2-yl]benzamide Traditional Name: N-[3-[(S)-(4-bromophenyl)-pyrrolidin-1-ium-1-yl-methyl]-5-ethyl-2-thienyl]benzamide Formula: C24H26BrN2OS+ MolecularWeight: 470.44504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)Br)[NH+]4CCCC4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@H](C3=CC=C(C=C3)Br)[NH+]4CCCC4

InChI

InChI=1S/C24H25BrN2OS/c1-2-20-16-21(24(29-20)26-23(28)18-8-4-3-5-9-18)22(27-14-6-7-15-27)17-10-12-19(25)13-11-17/h3-5,8-13,16,22H,2,6-7,14-15H2,1H3,(H,26,28)/p+1/t22-/m0/s1