1-adamantylmethyl-[(2R)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantylmethyl-[(2R)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1R)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1R)-2-keto-1-methyl-2-(N-methylanilino)ethyl]ammonium Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)[NH2+]CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)N(C)C1=CC=CC=C1)[NH2+]CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O/c1-15(20(24)23(2)19-6-4-3-5-7-19)22-14-21-11-16-8-17(12-21)10-18(9-16)13-21/h3-7,15-18,22H,8-14H2,1-2H3/p+1/t15-,16?,17?,18?,21?/m1/s1