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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CN2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[N+]1=C(NC=C1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H32N4O2/c1-23(12-9-17-7-8-19(26-3)20(14-17)27-4)18-6-5-11-25(15-18)16-21-22-10-13-24(21)2/h7-8,10,13-14,18H,5-6,9,11-12,15-16H2,1-4H3/p+2/t18-/m0/s1