N-(4-bromanyl-2-methyl-phenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(4-bromo-2-methylphenyl)-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C20H24BrN2O+ MolecularWeight: 388.32136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H23BrN2O/c1-15-13-18(21)9-10-19(15)22-20(24)17-7-5-16(6-8-17)14-23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)/p+1