[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]-cyclopropyl-[(4-isopropylphenyl)methyl]ammonium CAS Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]-cyclopropyl-(4-isopropylbenzyl)ammonium Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NC2(CCCC2)C#N)C3CC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NC2(CCCC2)C#N)C3CC3

InChI

InChI=1S/C21H29N3O/c1-16(2)18-7-5-17(6-8-18)13-24(19-9-10-19)14-20(25)23-21(15-22)11-3-4-12-21/h5-8,16,19H,3-4,9-14H2,1-2H3,(H,23,25)/p+1