[(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)N4CC[NH+](CC4)C)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C18H30N2O/c1-16-8-14-9-17(2,11-16)13-18(10-14,12-16)15(21)20-6-4-19(3)5-7-20/h14H,4-13H2,1-3H3/p+1/t14?,16-,17+,18?