(3-methoxy-2-oxidanyl-phenyl)methyl-methyl-[(3S)-1-phenethylpiperidin-3-yl]azanium

Systemtic Name: (3-methoxy-2-oxidanyl-phenyl)methyl-methyl-[(3S)-1-phenethylpiperidin-3-yl]azanium Openeye Name: (2-hydroxy-3-methoxy-phenyl)methyl-methyl-[(3S)-1-phenethyl-3-piperidyl]ammonium CAS Name: (2-hydroxy-3-methoxyphenyl)methyl-methyl-[(3S)-1-phenethyl-3-piperidinyl]ammonium IUPAC Name: (2-hydroxy-3-methoxyphenyl)methyl-methyl-[(3S)-1-phenethylpiperidin-3-yl]azanium Traditional Name: (2-hydroxy-3-methoxy-benzyl)-methyl-[(3S)-1-phenethyl-3-piperidyl]ammonium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C(=CC=C1)OC)O)C2CCCN(C2)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=C(C(=CC=C1)OC)O)[C@H]2CCCN(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2/c1-23(16-19-10-6-12-21(26-2)22(19)25)20-11-7-14-24(17-20)15-13-18-8-4-3-5-9-18/h3-6,8-10,12,20,25H,7,11,13-17H2,1-2H3/p+1/t20-/m0/s1