[(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-(3-ethoxy-4-methoxy-benzyl)-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCCC(C2)[NH+](C)CCC3=CC=CC=N3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=N3)OC

InChI

InChI=1S/C23H33N3O2/c1-4-28-23-16-19(10-11-22(23)27-3)17-26-14-7-9-21(18-26)25(2)15-12-20-8-5-6-13-24-20/h5-6,8,10-11,13,16,21H,4,7,9,12,14-15,17-18H2,1-3H3/p+1/t21-/m0/s1