1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2/c1-16-7-5-6-10-19(16)23-20(25)15-24-13-11-17(12-14-24)21(26)22-18-8-3-2-4-9-18/h2-4,8-9,16-17,19H,5-7,10-15H2,1H3,(H,22,26)(H,23,25)/p+1/t16-,19-/m0/s1