2-(4-chloranylphenoxy)ethyl-[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C20H29ClN3O2+ MolecularWeight: 378.91616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)[NH+](C)CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)[NH+](C)CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H28ClN3O2/c1-16(19(25)24(3)20(15-22)11-5-4-6-12-20)23(2)13-14-26-18-9-7-17(21)8-10-18/h7-10,16H,4-6,11-14H2,1-3H3/p+1/t16-/m1/s1