1-[(2,3-dimethoxyphenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(1-pyrrolidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-o-veratryl-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Formula: C18H30N2O2+2 MolecularWeight: 306.443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)[NH+]3CCCC3

InChI

InChI=1S/C18H28N2O2/c1-21-17-7-5-6-15(18(17)22-2)14-19-12-8-16(9-13-19)20-10-3-4-11-20/h5-7,16H,3-4,8-14H2,1-2H3/p+2