(3,4-dimethoxyphenyl)methyl-[(2S)-2-oxidanylpropyl]-(quinolin-8-ylmethyl)azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-oxidanylpropyl]-(quinolin-8-ylmethyl)azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-(8-quinolylmethyl)ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-(8-quinolinylmethyl)ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-(quinolin-8-ylmethyl)azanium Traditional Name: [(2S)-2-hydroxypropyl]-(8-quinolylmethyl)-veratryl-ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC1=CC(=C(C=C1)OC)OC)CC2=CC=CC3=C2N=CC=C3)O

Isomeric SMILES

C[C@@H](C[NH+](CC1=CC(=C(C=C1)OC)OC)CC2=CC=CC3=C2N=CC=C3)O

InChI

InChI=1S/C22H26N2O3/c1-16(25)13-24(14-17-9-10-20(26-2)21(12-17)27-3)15-19-7-4-6-18-8-5-11-23-22(18)19/h4-12,16,25H,13-15H2,1-3H3/p+1/t16-/m0/s1