(3,4-dimethoxyphenyl)methyl-[(3S)-3-(furan-2-yl)-4-phenyl-butyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(3S)-3-(furan-2-yl)-4-phenyl-butyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(3S)-3-(2-furyl)-4-phenyl-butyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(3S)-3-(2-furanyl)-4-phenylbutyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(3S)-3-(furan-2-yl)-4-phenylbutyl]azanium Traditional Name: [(3S)-3-(2-furyl)-4-phenyl-butyl]-veratryl-ammonium Formula: C23H28NO3+ MolecularWeight: 366.47332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCC(CC2=CC=CC=C2)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC[C@H](CC2=CC=CC=C2)C3=CC=CO3)OC

InChI

InChI=1S/C23H27NO3/c1-25-22-11-10-19(16-23(22)26-2)17-24-13-12-20(21-9-6-14-27-21)15-18-7-4-3-5-8-18/h3-11,14,16,20,24H,12-13,15,17H2,1-2H3/p+1/t20-/m1/s1