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

Systemtic Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2,5-dimethoxybenzyl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)amine Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCCC(C2)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCC[C@@H](C2)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H30N2O4/c1-25-19-8-10-20(26-2)16(12-19)14-24-11-5-6-18(15-24)23-17-7-9-21(27-3)22(13-17)28-4/h7-10,12-13,18,23H,5-6,11,14-15H2,1-4H3/p+1/t18-/m0/s1