(3S)-3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one

Systemtic Name: (3S)-3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-4-isopropyl-piperazin-4-ium-2-one CAS Name: (3S)-3-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3S)-3-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-4-isopropyl-piperazin-4-ium-2-one Formula: C21H31N4O3+ MolecularWeight: 387.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-15(2)25-9-8-22-21(28)19(25)14-20(27)24-12-10-23(11-13-24)18-6-4-17(5-7-18)16(3)26/h4-7,15,19H,8-14H2,1-3H3,(H,22,28)/p+1/t19-/m0/s1