3-(phenylmethyl)-2-[(1R)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one

Systemtic Name: 3-(phenylmethyl)-2-[(1R)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one Openeye Name: 3-benzyl-2-[(1R)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one CAS Name: 3-(phenylmethyl)-2-[(1R)-1-(1-piperazine-1,4-diiumyl)ethyl]-4-quinazolinone IUPAC Name: 3-benzyl-2-[(1R)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[(1R)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one Formula: C21H26N4O+2 MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)[NH+]4CC[NH2+]CC4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)[NH+]4CC[NH2+]CC4

InChI

InChI=1S/C21H24N4O/c1-16(24-13-11-22-12-14-24)20-23-19-10-6-5-9-18(19)21(26)25(20)15-17-7-3-2-4-8-17/h2-10,16,22H,11-15H2,1H3/p+2/t16-/m1/s1