2-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]thio]-4-quinazolinone IUPAC Name: 2-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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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(=O)N3CCCO

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C25H30N4O3S/c1-19(23(31)28-15-13-27(14-16-28)18-20-8-3-2-4-9-20)33-25-26-22-11-6-5-10-21(22)24(32)29(25)12-7-17-30/h2-6,8-11,19,30H,7,12-18H2,1H3/p+1/t19-/m1/s1