[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-azanium Openeye Name: [2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-ammonium CAS Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylammonium IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium Traditional Name: [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NC2(CCCCCC2)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NC2(CCCCCC2)C#N)C

InChI

InChI=1S/C20H29N3O/c1-16-8-9-18(17(2)12-16)13-23(3)14-19(24)22-20(15-21)10-6-4-5-7-11-20/h8-9,12H,4-7,10-11,13-14H2,1-3H3,(H,22,24)/p+1