3-methyl-4-nitro-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide

Systemtic Name: 3-methyl-4-nitro-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide Openeye Name: N-[(1-isopropylpiperidin-1-ium-4-ylidene)amino]-3-methyl-4-nitro-benzamide CAS Name: 3-methyl-4-nitro-N-[(1-propan-2-yl-4-piperidin-1-iumylidene)amino]benzamide IUPAC Name: 3-methyl-4-nitro-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide Traditional Name: N-[(1-isopropylpiperidin-1-ium-4-ylidene)amino]-3-methyl-4-nitro-benzamide Formula: C16H23N4O3+ MolecularWeight: 319.37882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NN=C2CC[NH+](CC2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NN=C2CC[NH+](CC2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O3/c1-11(2)19-8-6-14(7-9-19)17-18-16(21)13-4-5-15(20(22)23)12(3)10-13/h4-5,10-11H,6-9H2,1-3H3,(H,18,21)/p+1