2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]-3-propyl-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]-3-propyl-quinazolin-4-one CAS Name: 2-[(1S)-1-(1-piperazine-1,4-diiumyl)propyl]-3-propyl-4-quinazolinone IUPAC Name: 2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]-3-propylquinazolin-4-one Traditional Name: 2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]-3-propyl-quinazolin-4-one Formula: C18H28N4O+2 MolecularWeight: 316.44112

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1C(CC)[NH+]3CC[NH2+]CC3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1[C@H](CC)[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C18H26N4O/c1-3-11-22-17(16(4-2)21-12-9-19-10-13-21)20-15-8-6-5-7-14(15)18(22)23/h5-8,16,19H,3-4,9-13H2,1-2H3/p+2/t16-/m0/s1