[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+](CC1=CC=C(C=C1)OC)C2CC2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+](CC1=CC=C(C=C1)OC)C2CC2)C3(CCCCC3)C#N

InChI

InChI=1S/C21H29N3O2/c1-23(21(16-22)12-4-3-5-13-21)20(25)15-24(18-8-9-18)14-17-6-10-19(26-2)11-7-17/h6-7,10-11,18H,3-5,8-9,12-15H2,1-2H3/p+1