4-methyl-N-[(2R)-3-methyl-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]butan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-methyl-N-[(2R)-3-methyl-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]butan-2-yl]cyclohexane-1-carboxamide Openeye Name: N-[(1R)-1-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2-methyl-propyl]-4-methyl-cyclohexanecarboxamide CAS Name: 4-methyl-N-[(2R)-3-methyl-1-oxo-1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]butan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: N-[(2R)-1-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide Traditional Name: N-[(1R)-1-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2-methyl-propyl]-4-methyl-cyclohexanecarboxamide Formula: C25H40N3O2+ MolecularWeight: 414.604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1CCC(CC1)C(=O)N[C@H](C(C)C)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H39N3O2/c1-18(2)23(27-24(29)21-11-9-19(3)10-12-21)25(30)26-22-13-15-28(16-14-22)17-20-7-5-4-6-8-20/h4-8,18-19,21-23H,9-17H2,1-3H3,(H,26,30)(H,27,29)/p+1/t19?,21?,23-/m1/s1