1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-3-14-4-6-15(7-5-14)13(2)20-17(22)12-21-10-8-16(9-11-21)18(19)23/h4-7,13,16H,3,8-12H2,1-2H3,(H2,19,23)(H,20,22)/p+1/t13-/m0/s1