[1-[(5-chloranyl-2,3-dimethoxy-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(5-chloranyl-2,3-dimethoxy-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-yl]methanol Openeye Name: [4-benzyl-1-[(5-chloro-2,3-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [4-benzyl-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [4-benzyl-1-(5-chloro-2,3-dimethoxy-benzyl)piperidin-1-ium-4-yl]methanol Formula: C22H29ClNO3+ MolecularWeight: 390.92356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Cl)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)CO)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Cl)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)CO)OC

InChI

InChI=1S/C22H28ClNO3/c1-26-20-13-19(23)12-18(21(20)27-2)15-24-10-8-22(16-25,9-11-24)14-17-6-4-3-5-7-17/h3-7,12-13,25H,8-11,14-16H2,1-2H3/p+1