(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-benzyl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(phenylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-benzyl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methylpiperidin-1-ium-3-amine Traditional Name: benzyl-[(3S)-1-[4-methoxy-3-(methoxymethyl)benzyl]piperidin-1-ium-3-yl]-methyl-amine Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCC[NH+](C2)CC3=CC(=C(C=C3)OC)COC

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3)OC)COC

InChI

InChI=1S/C23H32N2O2/c1-24(15-19-8-5-4-6-9-19)22-10-7-13-25(17-22)16-20-11-12-23(27-3)21(14-20)18-26-2/h4-6,8-9,11-12,14,22H,7,10,13,15-18H2,1-3H3/p+1/t22-/m0/s1