2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one CAS Name: 2-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Traditional Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Formula: C19H26N5O+ MolecularWeight: 340.44264

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=NC(=O)C4=C(N3)CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=NC(=O)C4=C(N3)CCCC4

InChI

InChI=1S/C19H25N5O/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)20-19-21-17-5-3-2-4-16(17)18(25)22-19/h6-9H,2-5,10-13H2,1H3,(H2,20,21,22,25)/p+1