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

Systemtic Name: 2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]-3-propyl-quinazolin-4-one CAS Name: 2-[(1S)-1-(1-piperazine-1,4-diiumyl)ethyl]-3-propyl-4-quinazolinone IUPAC Name: 2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]-3-propylquinazolin-4-one Traditional Name: 2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]-3-propyl-quinazolin-4-one Formula: C17H26N4O+2 MolecularWeight: 302.41454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O/c1-3-10-21-16(13(2)20-11-8-18-9-12-20)19-15-7-5-4-6-14(15)17(21)22/h4-7,13,18H,3,8-12H2,1-2H3/p+2/t13-/m0/s1