N-[4,5-dimethyl-3-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[4,5-dimethyl-3-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[(S)-phenyl(1-pyrrolidin-1-iumyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-2-thienyl]benzamide Formula: C24H27N2OS+ MolecularWeight: 391.54898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=CC=C2)[NH+]3CCCC3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC=CC=C2)[NH+]3CCCC3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H26N2OS/c1-17-18(2)28-24(25-23(27)20-13-7-4-8-14-20)21(17)22(26-15-9-10-16-26)19-11-5-3-6-12-19/h3-8,11-14,22H,9-10,15-16H2,1-2H3,(H,25,27)/p+1/t22-/m0/s1