N-[(2S)-3-methyl-1-oxidanylidene-1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]cyclohexanecarboxamide Openeye Name: N-[(1S)-2-methyl-1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]propyl]cyclohexanecarboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]butan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]cyclohexanecarboxamide Traditional Name: N-[(1S)-2-methyl-1-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoyl]propyl]cyclohexanecarboxamide Formula: C25H40N3O2+ MolecularWeight: 414.604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2)NC(=O)C3CCCCC3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2)NC(=O)C3CCCCC3

InChI

InChI=1S/C25H39N3O2/c1-19(2)23(27-24(29)22-9-5-3-6-10-22)25(30)26-17-20-11-13-21(14-12-20)18-28-15-7-4-8-16-28/h11-14,19,22-23H,3-10,15-18H2,1-2H3,(H,26,30)(H,27,29)/p+1/t23-/m0/s1