4-[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-phenyl]carbonyl-3,3-dimethyl-piperazin-2-one

Systemtic Name: 4-[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-phenyl]carbonyl-3,3-dimethyl-piperazin-2-one Openeye Name: 4-[3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-benzoyl]-3,3-dimethyl-piperazin-2-one CAS Name: 4-[[4-methoxy-3-[(1-propan-2-yl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]-3,3-dimethyl-2-piperazinone IUPAC Name: 4-[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxybenzoyl]-3,3-dimethylpiperazin-2-one Traditional Name: 4-[3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-benzoyl]-3,3-dimethyl-piperazin-2-one Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)C(=O)N3CCNC(=O)C3(C)C)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)C(=O)N3CCNC(=O)C3(C)C)OC

InChI

InChI=1S/C22H33N3O4/c1-15(2)24-11-8-17(9-12-24)29-19-14-16(6-7-18(19)28-5)20(26)25-13-10-23-21(27)22(25,3)4/h6-7,14-15,17H,8-13H2,1-5H3,(H,23,27)/p+1