(7S)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7S)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methyl-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methyl-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one Formula: C30H31N4OS+ MolecularWeight: 495.65834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)C3=CC=CS3)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)C[C@H](C2)C3=CC=CS3)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H30N4OS/c1-21-28-25(19-24(20-26(28)35)27-13-8-18-36-27)32-30(31-21)34-16-14-33(15-17-34)29(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-13,18,24,29H,14-17,19-20H2,1H3/p+1/t24-/m0/s1