6-nitro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one

Systemtic Name: 6-nitro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Openeye Name: 6-nitro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one CAS Name: 6-nitro-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-quinazolinone IUPAC Name: 6-nitro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Traditional Name: 6-nitro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C19H19N5O3/c25-19-17-12-16(24(26)27)6-7-18(17)20-13-23(19)14-21-8-10-22(11-9-21)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1