1-[4-(diphenylmethyl)piperazin-1-yl]-3-(1-sulfanylidene-4H-quinolin-1-ium-2-yl)propan-2-ol

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-(1-sulfanylidene-4H-quinolin-1-ium-2-yl)propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(1-thioxo-4H-quinolin-1-ium-2-yl)propan-2-ol CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-(1-sulfanylidene-4H-quinolin-1-ium-2-yl)-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(1-sulfanylidene-4H-quinolin-1-ium-2-yl)propan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-(1-thioxo-4H-quinolin-1-ium-2-yl)propan-2-ol Formula: C29H32N3OS+ MolecularWeight: 470.64888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CCC3=CC=CC=C3[N+]2=S)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CC2=CCC3=CC=CC=C3[N+]2=S)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H32N3OS/c33-27(21-26-16-15-23-9-7-8-14-28(23)32(26)34)22-30-17-19-31(20-18-30)29(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-14,16,27,29,33H,15,17-22H2/q+1