(4-methylpiperazin-4-ium-1-yl)-(3,5,7-trimethyl-1-adamantyl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(3,5,7-trimethyl-1-adamantyl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(3,5,7-trimethyl-1-adamantyl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-(3,5,7-trimethyl-1-adamantyl)methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(3,5,7-trimethyl-1-adamantyl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(3,5,7-trimethyl-1-adamantyl)methanone Formula: C19H33N2O+ MolecularWeight: 305.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)N4CC[NH+](CC4)C)C)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)N4CC[NH+](CC4)C)C)C

InChI

InChI=1S/C19H32N2O/c1-16-9-17(2)11-18(3,10-16)14-19(12-16,13-17)15(22)21-7-5-20(4)6-8-21/h5-14H2,1-4H3/p+1