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

Systemtic Name: 3-ethyl-2-[(1R)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]propyl]quinazolin-4-one Openeye Name: 3-ethyl-2-[(1R)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]propyl]quinazolin-4-one CAS Name: 3-ethyl-2-[(1R)-1-[(3R)-3-methyl-1-piperazine-1,4-diiumyl]propyl]-4-quinazolinone IUPAC Name: 3-ethyl-2-[(1R)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]propyl]quinazolin-4-one Traditional Name: 3-ethyl-2-[(1R)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]propyl]quinazolin-4-one Formula: C18H28N4O+2 MolecularWeight: 316.44112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1CC)[NH+]3CC[NH2+]C(C3)C

Isomeric SMILES

CC[C@H](C1=NC2=CC=CC=C2C(=O)N1CC)[NH+]3CC[NH2+][C@@H](C3)C

InChI

InChI=1S/C18H26N4O/c1-4-16(21-11-10-19-13(3)12-21)17-20-15-9-7-6-8-14(15)18(23)22(17)5-2/h6-9,13,16,19H,4-5,10-12H2,1-3H3/p+2/t13-,16-/m1/s1