(3S)-1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-piperidine

Systemtic Name: (3S)-1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-piperidine Openeye Name: (3S)-1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-piperidine CAS Name: (3S)-1-[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-methylpiperidine IUPAC Name: (3S)-1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-3-methylpiperidine Traditional Name: (3S)-1-[1-(2,5-dimethoxybenzyl)piperidin-1-ium-4-yl]-3-methyl-piperidine Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C[C@H]1CCCN(C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H32N2O2/c1-16-5-4-10-22(14-16)18-8-11-21(12-9-18)15-17-13-19(23-2)6-7-20(17)24-3/h6-7,13,16,18H,4-5,8-12,14-15H2,1-3H3/p+1/t16-/m0/s1