2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide Openeye Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide CAS Name: 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Traditional Name: 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4OS/c1-17-9-10-20-21(14-17)26-23(25-20)29-16-22(28)24-19-8-5-12-27(15-19)13-11-18-6-3-2-4-7-18/h2-4,6-7,9-10,14,19H,5,8,11-13,15-16H2,1H3,(H,24,28)(H,25,26)/p+1/t19-/m0/s1