(3,4-dimethoxyphenyl)methyl-methyl-[3-oxidanylidene-3-[[(1R)-1-phenylethyl]amino]propyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-[3-oxidanylidene-3-[[(1R)-1-phenylethyl]amino]propyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-methyl-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-methyl-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-methyl-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]azanium Traditional Name: [3-keto-3-[[(1R)-1-phenylethyl]amino]propyl]-methyl-veratryl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CC[NH+](C)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CC[NH+](C)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H28N2O3/c1-16(18-8-6-5-7-9-18)22-21(24)12-13-23(2)15-17-10-11-19(25-3)20(14-17)26-4/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,24)/p+1/t16-/m1/s1