N-[2-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)anilino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]ethyl]adamantane-1-carboxamide Formula: C25H37N4O2+ MolecularWeight: 425.58688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N4O2/c1-17-9-21(29-7-5-28(2)6-8-29)3-4-22(17)27-23(30)16-26-24(31)25-13-18-10-19(14-25)12-20(11-18)15-25/h3-4,9,18-20H,5-8,10-16H2,1-2H3,(H,26,31)(H,27,30)/p+1