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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OC

InChI

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