(4-aminocarbonylphenyl)methyl-cyclopropyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-aminocarbonylphenyl)methyl-cyclopropyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-carbamoylphenyl)methyl-cyclopropyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl]ammonium CAS Name: (4-carbamoylphenyl)methyl-cyclopropyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]ammonium IUPAC Name: (4-carbamoylphenyl)methyl-cyclopropyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium Traditional Name: (4-carbamoylbenzyl)-cyclopropyl-[2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl]ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+](CC2=CC=C(C=C2)C(=O)N)C3CC3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+](CC2=CC=C(C=C2)C(=O)N)C3CC3

InChI

InChI=1S/C22H27N3O3/c1-16-3-2-4-20(13-16)28-12-11-24-21(26)15-25(19-9-10-19)14-17-5-7-18(8-6-17)22(23)27/h2-8,13,19H,9-12,14-15H2,1H3,(H2,23,27)(H,24,26)/p+1