3-methyl-4-nitro-N-(1-propylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 3-methyl-4-nitro-N-(1-propylpiperidin-1-ium-4-yl)benzamide Openeye Name: 3-methyl-4-nitro-N-(1-propylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-methyl-4-nitro-N-(1-propyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-methyl-4-nitro-N-(1-propylpiperidin-1-ium-4-yl)benzamide Traditional Name: 3-methyl-4-nitro-N-(1-propylpiperidin-1-ium-4-yl)benzamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H23N3O3/c1-3-8-18-9-6-14(7-10-18)17-16(20)13-4-5-15(19(21)22)12(2)11-13/h4-5,11,14H,3,6-10H2,1-2H3,(H,17,20)/p+1