N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]adamantane-1-carboxamide Openeye Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]adamantane-1-carboxamide Formula: C23H34N3O+ MolecularWeight: 368.53556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O/c1-16-9-20(3-4-21(16)26-7-5-25(2)6-8-26)24-22(27)23-13-17-10-18(14-23)12-19(11-17)15-23/h3-4,9,17-19H,5-8,10-15H2,1-2H3,(H,24,27)/p+1