(3,4-dimethoxyphenyl)methyl-[(1-methylpyrrol-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(1-methylpyrrol-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-[(1-methylpyrrol-2-yl)methyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-[(1-methyl-2-pyrrolyl)methyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-[(1-methylpyrrol-2-yl)methyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[(1-methylpyrrol-2-yl)methyl]-veratryl-ammonium Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC1=CC(=C(C=C1)OC)OC)CC2=CC=CN2C)O

Isomeric SMILES

C[C@@H](C[NH+](CC1=CC(=C(C=C1)OC)OC)CC2=CC=CN2C)O

InChI

InChI=1S/C18H26N2O3/c1-14(21)11-20(13-16-6-5-9-19(16)2)12-15-7-8-17(22-3)18(10-15)23-4/h5-10,14,21H,11-13H2,1-4H3/p+1/t14-/m0/s1