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

Systemtic Name: 1-[2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2/c1-4-15-5-7-16(8-6-15)19(14(2)3)22-18(24)13-23-11-9-17(10-12-23)20(21)25/h5-8,14,17,19H,4,9-13H2,1-3H3,(H2,21,25)(H,22,24)/p+1/t19-/m0/s1