2-[[(2S)-2-(1-adamantyl)-2-[(4-methylphenyl)carbonylamino]ethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-(1-adamantyl)-2-[(4-methylphenyl)carbonylamino]ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-(1-adamantyl)-2-[(4-methylbenzoyl)amino]acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-(1-adamantyl)-2-[[(4-methylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-(1-adamantyl)-2-[(4-methylbenzoyl)amino]acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-(1-adamantyl)-2-(p-toluoylamino)acetyl]amino]ethyl-dimethyl-ammonium Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C(=O)NCC[NH+](C)C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H35N3O2/c1-16-4-6-20(7-5-16)22(28)26-21(23(29)25-8-9-27(2)3)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-7,17-19,21H,8-15H2,1-3H3,(H,25,29)(H,26,28)/p+1/t17?,18?,19?,21-,24?/m1/s1