N-[(2S)-1-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-cyclohexane-1-carboxamide

Systemtic Name: N-[(2S)-1-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-cyclohexane-1-carboxamide Openeye Name: N-[(1S)-1-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propylcarbamoyl]-2-methyl-propyl]-4-methyl-cyclohexanecarboxamide CAS Name: N-[(2S)-1-[3-[(2S)-2-ethyl-1-piperidin-1-iumyl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methyl-1-cyclohexanecarboxamide IUPAC Name: N-[(2S)-1-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide Traditional Name: N-[(1S)-1-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propylcarbamoyl]-2-methyl-propyl]-4-methyl-cyclohexanecarboxamide Formula: C23H44N3O2+ MolecularWeight: 394.61436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCCNC(=O)C(C(C)C)NC(=O)C2CCC(CC2)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CCCNC(=O)[C@H](C(C)C)NC(=O)C2CCC(CC2)C

InChI

InChI=1S/C23H43N3O2/c1-5-20-9-6-7-15-26(20)16-8-14-24-23(28)21(17(2)3)25-22(27)19-12-10-18(4)11-13-19/h17-21H,5-16H2,1-4H3,(H,24,28)(H,25,27)/p+1/t18?,19?,20-,21-/m0/s1