2-[(4-methylphenyl)methylsulfanyl]-4-(4-methylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydroquinazoline

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-4-(4-methylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydroquinazoline Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolylmethylsulfanyl)-5,6,7,8-tetrahydroquinazoline CAS Name: 2-[(4-methylphenyl)methylthio]-4-(4-methyl-1-piperazin-4-iumyl)-5,6,7,8-tetrahydroquinazoline IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-4-(4-methylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydroquinazoline Traditional Name: 2-[(4-methylbenzyl)thio]-4-(4-methylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydroquinazoline Formula: C21H29N4S+ MolecularWeight: 369.54676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H28N4S/c1-16-7-9-17(10-8-16)15-26-21-22-19-6-4-3-5-18(19)20(23-21)25-13-11-24(2)12-14-25/h7-10H,3-6,11-15H2,1-2H3/p+1