2-methyl-3-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 2-methyl-3-nitro-N-[4-(1-piperidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H23N3O3/c1-15-18(6-5-7-19(15)23(25)26)20(24)21-17-10-8-16(9-11-17)14-22-12-3-2-4-13-22/h5-11H,2-4,12-14H2,1H3,(H,21,24)/p+1