1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]ethanone Openeye Name: 1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-1-piperidyl]ethanone CAS Name: 1-[4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-carbonyl]piperidino]ethanone Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H31N3O4/c1-16(25)23-8-6-17(7-9-23)21(26)24-12-10-22(11-13-24)15-18-14-19(27-2)4-5-20(18)28-3/h4-5,14,17H,6-13,15H2,1-3H3/p+1