1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H31N3O2/c1-17-4-3-10-22(16-17)11-9-21(26)24-14-12-23(13-15-24)20-7-5-19(6-8-20)18(2)25/h5-8,17H,3-4,9-16H2,1-2H3/p+1/t17-/m0/s1