[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(1-veratrylpiperidin-1-ium-4-yl)methanone Formula: C20H33N3O3+2 MolecularWeight: 363.49432

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H31N3O3/c1-21-10-12-23(13-11-21)20(24)17-6-8-22(9-7-17)15-16-4-5-18(25-2)19(14-16)26-3/h4-5,14,17H,6-13,15H2,1-3H3/p+2