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

Systemtic Name: (3S)-1-(pyridin-2-ylmethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-(2-pyridylmethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(2-pyridinylmethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(pyridin-2-ylmethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-(2,4,5-trimethoxybenzyl)amine Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2CCC[NH+](C2)CC3=CC=CC=N3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CN[C@H]2CCC[NH+](C2)CC3=CC=CC=N3)OC)OC

InChI

InChI=1S/C21H29N3O3/c1-25-19-12-21(27-3)20(26-2)11-16(19)13-23-18-8-6-10-24(15-18)14-17-7-4-5-9-22-17/h4-5,7,9,11-12,18,23H,6,8,10,13-15H2,1-3H3/p+1/t18-/m0/s1