2-[4-(3-methoxy-4-methyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(3-methoxy-4-methyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(3-methoxy-4-methyl-benzoyl)piperazin-1-ium-1-yl]-1-[(2R)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-[(3-methoxy-4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-[(2R)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-ium-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(3-methoxy-4-methyl-benzoyl)piperazin-1-ium-1-yl]-1-[(2R)-2-methylpiperidino]ethanone Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)OC

Isomeric SMILES

C[C@@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)OC

InChI

InChI=1S/C21H31N3O3/c1-16-7-8-18(14-19(16)27-3)21(26)23-12-10-22(11-13-23)15-20(25)24-9-5-4-6-17(24)2/h7-8,14,17H,4-6,9-13,15H2,1-3H3/p+1/t17-/m1/s1