1-[(3R)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]ethanone

Systemtic Name: 1-[(3R)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]ethanone Openeye Name: 1-[(3R)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-1-piperidyl]ethanone CAS Name: 1-[(3R)-3-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinyl]ethanone IUPAC Name: 1-[(3R)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]piperidin-1-yl]ethanone Traditional Name: 1-[(3R)-3-(4-veratrylpiperazin-4-ium-1-carbonyl)piperidino]ethanone Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)N1CCC[C@H](C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H31N3O4/c1-16(25)24-8-4-5-18(15-24)21(26)23-11-9-22(10-12-23)14-17-6-7-19(27-2)20(13-17)28-3/h6-7,13,18H,4-5,8-12,14-15H2,1-3H3/p+1/t18-/m1/s1