[(1S)-3-methylsulfanyl-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]azanium

Systemtic Name: [(1S)-3-methylsulfanyl-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]azanium Openeye Name: [(1S)-1-[1-[(4-isopropylphenyl)methyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(1S)-3-(methylthio)-1-[1-[(4-propan-2-ylphenyl)methyl]-2-benzimidazolyl]propyl]ammonium IUPAC Name: [(1S)-3-methylsulfanyl-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]azanium Traditional Name: [(1S)-1-[1-(4-isopropylbenzyl)benzimidazol-2-yl]-3-(methylthio)propyl]ammonium Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C(CCSC)[NH3+]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2[C@H](CCSC)[NH3+]

InChI

InChI=1S/C21H27N3S/c1-15(2)17-10-8-16(9-11-17)14-24-20-7-5-4-6-19(20)23-21(24)18(22)12-13-25-3/h4-11,15,18H,12-14,22H2,1-3H3/p+1/t18-/m0/s1