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

Systemtic Name: (3S)-N-methyl-N-(phenylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-benzyl-N-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-N-(phenylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-benzyl-N-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: benzyl-methyl-[(3S)-1-(2,4,5-trimethoxybenzyl)piperidin-1-ium-3-yl]amine Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCC[NH+](C2)CC3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C23H32N2O3/c1-24(15-18-9-6-5-7-10-18)20-11-8-12-25(17-20)16-19-13-22(27-3)23(28-4)14-21(19)26-2/h5-7,9-10,13-14,20H,8,11-12,15-17H2,1-4H3/p+1/t20-/m0/s1