(3R)-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-[2-(o-tolyl)ethylamino]ethyl]piperidin-1-ium-3-carboxamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C17H25N3O2/c1-13-5-2-3-6-14(13)8-9-19-16(21)12-20-10-4-7-15(11-20)17(18)22/h2-3,5-6,15H,4,7-12H2,1H3,(H2,18,22)(H,19,21)/p+1/t15-/m1/s1