1-adamantyl-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantyl-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantyl-[(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]ammonium Formula: C20H29N2O+ MolecularWeight: 313.45706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O/c1-13-3-5-18(6-4-13)21-19(23)14(2)22-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,14-17,22H,7-12H2,1-2H3,(H,21,23)/p+1/t14-,15?,16?,17?,20?/m0/s1