[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-methylphenyl)methyl]azanium

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl]-methyl-(o-tolylmethyl)ammonium CAS Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C24H34N3O+ MolecularWeight: 380.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33N3O/c1-18-6-3-4-7-22(18)16-26(2)17-23(28)27(9-5-8-25)24-13-19-10-20(14-24)12-21(11-19)15-24/h3-4,6-7,19-21H,5,9-17H2,1-2H3/p+1