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

Systemtic Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H27N3O2/c1-16(2)28-19-9-5-7-17(13-19)23(27)18-8-6-12-26(14-18)15-22-24-20-10-3-4-11-21(20)25-22/h3-5,7,9-11,13,16,18H,6,8,12,14-15H2,1-2H3,(H,24,25)/p+1/t18-/m0/s1