3-nitro-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide

Systemtic Name: 3-nitro-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide Openeye Name: 3-nitro-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide CAS Name: 3-nitro-N-[2-(1-piperidin-1-iumylmethyl)-4-quinazolinyl]benzamide IUPAC Name: 3-nitro-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide Traditional Name: 3-nitro-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide Formula: C21H22N5O3+ MolecularWeight: 392.43108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c27-21(15-7-6-8-16(13-15)26(28)29)24-20-17-9-2-3-10-18(17)22-19(23-20)14-25-11-4-1-5-12-25/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,22,23,24,27)/p+1