tert-butyl-[2-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: tert-butyl-[2-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-oxidanylidene-ethyl]azanium Openeye Name: tert-butyl-[2-oxo-2-[(5S,7R)-3-(p-tolyl)-1-adamantyl]ethyl]ammonium CAS Name: tert-butyl-[2-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-oxoethyl]ammonium IUPAC Name: tert-butyl-[2-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-oxoethyl]azanium Traditional Name: tert-butyl-[2-keto-2-[(5S,7R)-3-(p-tolyl)-1-adamantyl]ethyl]ammonium Formula: C23H34NO+ MolecularWeight: 340.52216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)C[NH2+]C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)C[NH2+]C(C)(C)C

InChI

InChI=1S/C23H33NO/c1-16-5-7-19(8-6-16)22-10-17-9-18(11-22)13-23(12-17,15-22)20(25)14-24-21(2,3)4/h5-8,17-18,24H,9-15H2,1-4H3/p+1/t17-,18+,22?,23?