(3,4-dimethoxyphenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: (1-propylpiperidin-1-ium-4-yl)-veratryl-ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H28N2O2/c1-4-9-19-10-7-15(8-11-19)18-13-14-5-6-16(20-2)17(12-14)21-3/h5-6,12,15,18H,4,7-11,13H2,1-3H3/p+2