2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]ammonium Formula: C21H34N4O2+2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(N1)CN2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=[NH+]C=C(N1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H32N4O2/c1-16-22-13-18(23-16)14-25-10-5-6-19(15-25)24(2)11-9-17-7-8-20(26-3)21(12-17)27-4/h7-8,12-13,19H,5-6,9-11,14-15H2,1-4H3,(H,22,23)/p+2/t19-/m0/s1