1-[3-[(4-bromanyl-3-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-[(4-bromanyl-3-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-(4-bromo-3-methyl-anilino)-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-(4-bromo-3-methyl-anilino)-3-keto-propyl]piperidin-1-ium-4-carboxamide Formula: C16H23BrN3O2+ MolecularWeight: 369.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC[NH+]2CCC(CC2)C(=O)N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC[NH+]2CCC(CC2)C(=O)N)Br

InChI

InChI=1S/C16H22BrN3O2/c1-11-10-13(2-3-14(11)17)19-15(21)6-9-20-7-4-12(5-8-20)16(18)22/h2-3,10,12H,4-9H2,1H3,(H2,18,22)(H,19,21)/p+1