[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

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