1-ethyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-ethyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-ethyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-ethyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-ethyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-ethyl-4-[1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C21H38N3O3+3 MolecularWeight: 380.54472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3/c1-5-22-10-12-24(13-11-22)18-6-8-23(9-7-18)16-17-14-19(25-2)21(27-4)20(15-17)26-3/h14-15,18H,5-13,16H2,1-4H3/p+3