2-adamantyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 2-adamantyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2-adamantyl-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]ammonium CAS Name: 2-adamantyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: 2-adamantyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: 2-adamantyl-[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]ammonium Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH2+]C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH2+]C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H28N2O/c1-12-20(18-5-3-4-6-19(18)23-12)22(25)13(2)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h3-6,13-17,21,23-24H,7-11H2,1-2H3/p+1/t13-,14?,15?,16?,17?,21?/m0/s1