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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3OC)OC)OC

InChI

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