N-[(2R)-3-methyl-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-3-methyl-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-2-methyl-1-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-3-methyl-1-[(4-methyl-1-piperazin-4-iumyl)amino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-3-methyl-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-2-methyl-1-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]propyl]adamantane-1-carboxamide Formula: C21H37N4O2+ MolecularWeight: 377.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN1CC[NH+](CC1)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)NN1CC[NH+](CC1)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H36N4O2/c1-14(2)18(19(26)23-25-6-4-24(3)5-7-25)22-20(27)21-11-15-8-16(12-21)10-17(9-15)13-21/h14-18H,4-13H2,1-3H3,(H,22,27)(H,23,26)/p+1/t15?,16?,17?,18-,21?/m1/s1