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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium Traditional Name: [2-(1-adamantylmethylamino)-2-keto-ethyl]-[2-keto-2-(p-toluidino)ethyl]-methyl-ammonium Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H33N3O2/c1-16-3-5-20(6-4-16)25-22(28)14-26(2)13-21(27)24-15-23-10-17-7-18(11-23)9-19(8-17)12-23/h3-6,17-19H,7-15H2,1-2H3,(H,24,27)(H,25,28)/p+1