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

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-chloro-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-chlorobenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-chlorobenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-chloro-benzamide Formula: C24H33ClN3O2+ MolecularWeight: 430.99072

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H](C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H32ClN3O2/c1-27-6-8-28(9-7-27)23(30)21(26-22(29)19-2-4-20(25)5-3-19)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-5,16-18,21H,6-15H2,1H3,(H,26,29)/p+1/t16?,17?,18?,21-,24?/m1/s1