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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-3-yl]-methylazanium Traditional Name: [(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[NH+]C(=C(N1)C)CN2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=[NH+]C(=C(N1)C)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H36N4O2/c1-6-23-24-17(2)20(25-23)16-27-12-7-8-19(15-27)26(3)13-11-18-9-10-21(28-4)22(14-18)29-5/h9-10,14,19H,6-8,11-13,15-16H2,1-5H3,(H,24,25)/p+2/t19-/m0/s1