[7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-3-yl]methyl-[(2S)-2-phenylpropyl]azanium

Systemtic Name: [7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-3-yl]methyl-[(2S)-2-phenylpropyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-chloro-3-quinolyl]methyl-[(2S)-2-phenylpropyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-chloro-3-quinolinyl]methyl-[(2S)-2-phenylpropyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-chloroquinolin-3-yl]methyl-[(2S)-2-phenylpropyl]azanium Traditional Name: [2-(4-acetylpiperazino)-7-chloro-3-quinolyl]methyl-[(2S)-2-phenylpropyl]ammonium Formula: C25H30ClN4O+ MolecularWeight: 437.9849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CC1=C(N=C2C=C(C=CC2=C1)Cl)N3CCN(CC3)C(=O)C)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C[NH2+]CC1=C(N=C2C=C(C=CC2=C1)Cl)N3CCN(CC3)C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C25H29ClN4O/c1-18(20-6-4-3-5-7-20)16-27-17-22-14-21-8-9-23(26)15-24(21)28-25(22)30-12-10-29(11-13-30)19(2)31/h3-9,14-15,18,27H,10-13,16-17H2,1-2H3/p+1/t18-/m1/s1