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

Systemtic Name: 4-methyl-N-[(2R,3S)-3-methyl-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]pentan-2-yl]cyclohexane-1-carboxamide Openeye Name: N-[(1R,2S)-1-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2-methyl-butyl]-4-methyl-cyclohexanecarboxamide CAS Name: 4-methyl-N-[(2R,3S)-3-methyl-1-oxo-1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]pentan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: N-[(2R,3S)-1-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide Traditional Name: N-[(1R,2S)-1-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2-methyl-butyl]-4-methyl-cyclohexanecarboxamide Formula: C26H42N3O2+ MolecularWeight: 428.63058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3CCC(CC3)C

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3CCC(CC3)C

InChI

InChI=1S/C26H41N3O2/c1-4-20(3)24(28-25(30)22-12-10-19(2)11-13-22)26(31)27-23-14-16-29(17-15-23)18-21-8-6-5-7-9-21/h5-9,19-20,22-24H,4,10-18H2,1-3H3,(H,27,31)(H,28,30)/p+1/t19?,20-,22?,24+/m0/s1