[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: (1-o-veratrylpiperidin-1-ium-4-yl)-diphenyl-methanol Formula: C27H32NO3+ MolecularWeight: 418.54788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H31NO3/c1-30-25-15-9-10-21(26(25)31-2)20-28-18-16-24(17-19-28)27(29,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-15,24,29H,16-20H2,1-2H3/p+1