3-[3-methylbutanoyl-(4-propan-2-ylphenyl)amino]propylazanium

Systemtic Name: 3-[3-methylbutanoyl-(4-propan-2-ylphenyl)amino]propylazanium Openeye Name: 3-[4-isopropyl-N-(3-methylbutanoyl)anilino]propylammonium CAS Name: 3-(N-(3-methyl-1-oxobutyl)-4-propan-2-ylanilino)propylammonium IUPAC Name: 3-[N-(3-methylbutanoyl)-4-propan-2-ylanilino]propylazanium Traditional Name: 3-(4-isopropyl-N-isovaleryl-anilino)propylammonium Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCC[NH3+])C1=CC=C(C=C1)C(C)C

Isomeric SMILES

CC(C)CC(=O)N(CCC[NH3+])C1=CC=C(C=C1)C(C)C

InChI

InChI=1S/C17H28N2O/c1-13(2)12-17(20)19(11-5-10-18)16-8-6-15(7-9-16)14(3)4/h6-9,13-14H,5,10-12,18H2,1-4H3/p+1