1-[4-[4-[(3R)-3,4-dimethylpiperazin-4-ium-1-yl]carbonyl-2-methoxy-phenoxy]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[(3R)-3,4-dimethylpiperazin-4-ium-1-yl]carbonyl-2-methoxy-phenoxy]piperidin-1-yl]ethanone Openeye Name: 1-[4-[4-[(3R)-3,4-dimethylpiperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]-1-piperidyl]ethanone CAS Name: 1-[4-[4-[[(3R)-3,4-dimethyl-1-piperazin-4-iumyl]-oxomethyl]-2-methoxyphenoxy]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[4-[(3R)-3,4-dimethylpiperazin-4-ium-1-carbonyl]-2-methoxyphenoxy]piperidin-1-yl]ethanone Traditional Name: 1-[4-[4-[(3R)-3,4-dimethylpiperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]piperidino]ethanone Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C)C(=O)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)C)OC

Isomeric SMILES

C[C@@H]1CN(CC[NH+]1C)C(=O)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)C)OC

InChI

InChI=1S/C21H31N3O4/c1-15-14-24(12-11-22(15)3)21(26)17-5-6-19(20(13-17)27-4)28-18-7-9-23(10-8-18)16(2)25/h5-6,13,15,18H,7-12,14H2,1-4H3/p+1/t15-/m1/s1