2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: 2-[[1-(3-methylphenyl)-2-imidazolyl]thio]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[[1-(m-tolyl)imidazol-2-yl]thio]acetamide Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-18-6-5-9-21(14-18)27-13-11-24-23(27)29-17-22(28)25-20-10-12-26(16-20)15-19-7-3-2-4-8-19/h2-9,11,13-14,20H,10,12,15-17H2,1H3,(H,25,28)/p+1/t20-/m0/s1