N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-butanamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methyl-1-piperazin-4-iumyl)-4-oxobutanamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutanamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-keto-4-(4-methylpiperazin-4-ium-1-yl)butyramide Formula: C21H36N3O2+ MolecularWeight: 362.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCC(=O)N4CC[NH+](CC4)C

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CCC(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H35N3O2/c1-15(21-12-16-9-17(13-21)11-18(10-16)14-21)22-19(25)3-4-20(26)24-7-5-23(2)6-8-24/h15-18H,3-14H2,1-2H3,(H,22,25)/p+1/t15-,16?,17?,18?,21?/m1/s1