2-[4-(4-dimethylaminophenyl)carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(4-dimethylaminophenyl)carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-[4-(dimethylamino)benzoyl]piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-[(4-dimethylaminophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-[4-(dimethylamino)benzoyl]piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-[4-(dimethylamino)benzoyl]piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidino]ethanone Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2/c1-17-6-4-5-11-25(17)20(26)16-23-12-14-24(15-13-23)21(27)18-7-9-19(10-8-18)22(2)3/h7-10,17H,4-6,11-16H2,1-3H3/p+1/t17-/m0/s1