(3R)-1-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[(2-bromobenzyl)-methyl-amino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C16H23BrN3O2+ MolecularWeight: 369.27672

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C16H22BrN3O2/c1-19(9-12-5-2-3-7-14(12)17)15(21)11-20-8-4-6-13(10-20)16(18)22/h2-3,5,7,13H,4,6,8-11H2,1H3,(H2,18,22)/p+1/t13-/m1/s1