(2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-quinolin-2-ylsulfanyl-propan-1-one

Systemtic Name: (2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-quinolin-2-ylsulfanyl-propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-quinolylsulfanyl)propan-1-one CAS Name: (2R)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(2-quinolinylthio)-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-quinolin-2-ylsulfanylpropan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-quinolylthio)propan-1-one Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25N3OS/c1-18(28-22-12-11-20-9-5-6-10-21(20)24-22)23(27)26-15-13-25(14-16-26)17-19-7-3-2-4-8-19/h2-12,18H,13-17H2,1H3/p+1/t18-/m1/s1