1-[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)C[NH+]2CCC(CC2)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)C[NH+]2CCC(CC2)C(=O)N)C

InChI

InChI=1S/C18H27N3O2/c1-12-4-5-16(10-13(12)2)14(3)20-17(22)11-21-8-6-15(7-9-21)18(19)23/h4-5,10,14-15H,6-9,11H2,1-3H3,(H2,19,23)(H,20,22)/p+1/t14-/m0/s1