N-[(1S)-1-(1-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]cyclohexanecarboxamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]cyclohexanecarboxamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]cyclohexanecarboxamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]cyclohexanecarboxamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]cyclohexanecarboxamide Formula: C24H40N3O2+ MolecularWeight: 402.5933

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(C23CC4CC(C2)CC(C4)C3)NC(=O)C5CCCCC5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H](C23CC4CC(C2)CC(C4)C3)NC(=O)C5CCCCC5

InChI

InChI=1S/C24H39N3O2/c1-26-7-9-27(10-8-26)23(29)21(25-22(28)20-5-3-2-4-6-20)24-14-17-11-18(15-24)13-19(12-17)16-24/h17-21H,2-16H2,1H3,(H,25,28)/p+1/t17?,18?,19?,21-,24?/m1/s1