1-[2-[(3-azanyl-4-ethyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(3-azanyl-4-ethyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3-amino-4-ethyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-amino-4-ethylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3-amino-4-ethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3-amino-4-ethyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C16H23N3O3 MolecularWeight: 305.37212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-])N

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-])N

InChI

InChI=1S/C16H23N3O3/c1-2-11-3-4-13(9-14(11)17)18-15(20)10-19-7-5-12(6-8-19)16(21)22/h3-4,9,12H,2,5-8,10,17H2,1H3,(H,18,20)(H,21,22)