[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H21N3OS/c1-13-8-10-24-19(13)18(23)14-5-4-9-22(11-14)12-17-20-15-6-2-3-7-16(15)21-17/h2-3,6-8,10,14H,4-5,9,11-12H2,1H3,(H,20,21)/p+1/t14-/m0/s1