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

Systemtic Name: (3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-N-ethyl-N-(4-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-3-yl]-ethyl-(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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2/c1-4-26(17-19-10-12-24-13-11-19)21-7-6-14-25(18-21)16-20-8-9-22(27-3)23(15-20)28-5-2/h8-13,15,21H,4-7,14,16-18H2,1-3H3/p+1/t21-/m0/s1