3-methyl-2-[(1R)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]propyl]quinazolin-4-one

Systemtic Name: 3-methyl-2-[(1R)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]propyl]quinazolin-4-one Openeye Name: 3-methyl-2-[(1R)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]propyl]quinazolin-4-one CAS Name: 3-methyl-2-[(1R)-1-[(3R)-3-methyl-1-piperazine-1,4-diiumyl]propyl]-4-quinazolinone IUPAC Name: 3-methyl-2-[(1R)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]propyl]quinazolin-4-one Traditional Name: 3-methyl-2-[(1R)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]propyl]quinazolin-4-one Formula: C17H26N4O+2 MolecularWeight: 302.41454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C)[NH+]3CC[NH2+]C(C3)C

Isomeric SMILES

CC[C@H](C1=NC2=CC=CC=C2C(=O)N1C)[NH+]3CC[NH2+][C@@H](C3)C

InChI

InChI=1S/C17H24N4O/c1-4-15(21-10-9-18-12(2)11-21)16-19-14-8-6-5-7-13(14)17(22)20(16)3/h5-8,12,15,18H,4,9-11H2,1-3H3/p+2/t12-,15-/m1/s1