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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [2-(1-adamantylcarbamoylamino)-2-keto-ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2/c1-15-3-5-16(6-4-15)13-25(2)14-20(26)23-21(27)24-22-10-17-7-18(11-22)9-19(8-17)12-22/h3-6,17-19H,7-14H2,1-2H3,(H2,23,24,26,27)/p+1