[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-[(2,3-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-[(2,3-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]-[(2,3-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]-methyl-o-veratryl-ammonium Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-23(13-16-9-8-10-17(25-2)19(16)26-3)14-18(24)22-20(15-21)11-6-4-5-7-12-20/h8-10H,4-7,11-14H2,1-3H3,(H,22,24)/p+1