[(1S)-2-(1-adamantylcarbonylamino)-1-(2-chlorophenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-(1-adamantylcarbonylamino)-1-(2-chlorophenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(adamantane-1-carbonylamino)-1-(2-chlorophenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[1-adamantyl(oxo)methyl]amino]-1-(2-chlorophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(adamantane-1-carbonylamino)-1-(2-chlorophenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-(adamantane-1-carbonylamino)-1-(2-chlorophenyl)ethyl]-dimethyl-ammonium Formula: C21H30ClN2O+ MolecularWeight: 361.9287

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4Cl

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H29ClN2O/c1-24(2)19(17-5-3-4-6-18(17)22)13-23-20(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16,19H,7-13H2,1-2H3,(H,23,25)/p+1/t14?,15?,16?,19-,21?/m1/s1