ethyl (3R)-3-(3-azanyl-3-oxidanylidene-propyl)-4-oxidanylidene-1-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-3-(3-azanyl-3-oxidanylidene-propyl)-4-oxidanylidene-1-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-(3-amino-3-oxo-propyl)-1-benzyl-4-oxo-piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-(3-amino-3-oxopropyl)-4-oxo-1-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-(3-amino-3-oxopropyl)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-(3-amino-3-keto-propyl)-1-benzyl-4-keto-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C[NH+](CCC1=O)CC2=CC=CC=C2)CCC(=O)N

Isomeric SMILES

CCOC(=O)[C@@]1(C[NH+](CCC1=O)CC2=CC=CC=C2)CCC(=O)N

InChI

InChI=1S/C18H24N2O4/c1-2-24-17(23)18(10-8-16(19)22)13-20(11-9-15(18)21)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H2,19,22)/p+1/t18-/m1/s1