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

Systemtic Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[(3S)-1-m-anisylpiperidin-1-ium-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3CCC[NH+](C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N[C@H]3CCC[NH+](C3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C23H28N4O2S/c1-16-8-9-20-21(11-16)26-23(25-20)30-15-22(28)24-18-6-4-10-27(14-18)13-17-5-3-7-19(12-17)29-2/h3,5,7-9,11-12,18H,4,6,10,13-15H2,1-2H3,(H,24,28)(H,25,26)/p+1/t18-/m0/s1