[2-(2-acetamidoethylamino)-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-(2-acetamidoethylamino)-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-(2-acetamidoethylamino)-2-oxo-ethyl]-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [2-(2-acetamidoethylamino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-(2-acetamidoethylamino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-(2-acetamidoethylamino)-2-keto-ethyl]-(4-isopropylbenzyl)-methyl-ammonium Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NCCNC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NCCNC(=O)C

InChI

InChI=1S/C17H27N3O2/c1-13(2)16-7-5-15(6-8-16)11-20(4)12-17(22)19-10-9-18-14(3)21/h5-8,13H,9-12H2,1-4H3,(H,18,21)(H,19,22)/p+1