(4-tert-butylphenyl)methyl-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C20H29N3O/c1-19(2,3)17-9-7-16(8-10-17)13-23(4)14-18(24)22-20(15-21)11-5-6-12-20/h7-10H,5-6,11-14H2,1-4H3,(H,22,24)/p+1