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

Systemtic Name: (3S)-N-ethyl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-ethyl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-(4-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-ethyl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-ethyl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Traditional Name: ethyl-[(3S)-1-[4-methoxy-3-(methoxymethyl)benzyl]piperidin-1-ium-3-yl]-(4-pyridylmethyl)amine Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2/c1-4-26(16-19-9-11-24-12-10-19)22-6-5-13-25(17-22)15-20-7-8-23(28-3)21(14-20)18-27-2/h7-12,14,22H,4-6,13,15-18H2,1-3H3/p+1/t22-/m0/s1