(3R)-1-[2-[(3,4-dichlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[(3,4-dichlorobenzyl)-methyl-amino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C16H22Cl2N3O2+ MolecularWeight: 359.27078

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C16H21Cl2N3O2/c1-20(8-11-4-5-13(17)14(18)7-11)15(22)10-21-6-2-3-12(9-21)16(19)23/h4-5,7,12H,2-3,6,8-10H2,1H3,(H2,19,23)/p+1/t12-/m1/s1