6-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 6-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-nitro-quinazoline CAS Name: 6-nitro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinazoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-nitroquinazoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-nitro-quinazoline Formula: C19H20N5O2+ MolecularWeight: 350.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O2/c25-24(26)16-6-7-18-17(12-16)19(21-14-20-18)23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2/p+1