N-[(2S)-1-[[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)anilino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]ethyl]adamantane-1-carboxamide Formula: C26H39N4O2+ MolecularWeight: 439.61346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@H](C)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CC[NH+](CC5)C

InChI

InChI=1S/C26H38N4O2/c1-17-10-22(4-5-23(17)30-8-6-29(3)7-9-30)28-24(31)18(2)27-25(32)26-14-19-11-20(15-26)13-21(12-19)16-26/h4-5,10,18-21H,6-9,11-16H2,1-3H3,(H,27,32)(H,28,31)/p+1/t18-,19?,20?,21?,26?/m0/s1