1-adamantylmethyl-[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantylmethyl-[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1R)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1R)-2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl]ammonium Formula: C21H30ClN2O2+ MolecularWeight: 377.9281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH2+]CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH2+]CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29ClN2O2/c1-13(20(25)24-18-8-17(22)3-4-19(18)26-2)23-12-21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,13-16,23H,5-7,9-12H2,1-2H3,(H,24,25)/p+1/t13-,14?,15?,16?,21?/m1/s1