[2-(3-aminocarbonyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]-cyclopentyl-ethyl-[[(2-methylphenyl)amino]methyl]azanium

Systemtic Name: [2-(3-aminocarbonyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]-cyclopentyl-ethyl-[[(2-methylphenyl)amino]methyl]azanium Openeye Name: [2-(3-carbamoyl-4-hydroxy-phenyl)-2-hydroxy-ethyl]-cyclopentyl-ethyl-[(2-methylanilino)methyl]ammonium CAS Name: [2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]-cyclopentyl-ethyl-[(2-methylanilino)methyl]ammonium IUPAC Name: [2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]-cyclopentyl-ethyl-[(2-methylanilino)methyl]azanium Traditional Name: [2-(3-carbamoyl-4-hydroxy-phenyl)-2-hydroxy-ethyl]-cyclopentyl-ethyl-(o-toluidinomethyl)ammonium Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC(C1=CC(=C(C=C1)O)C(=O)N)O)(CNC2=CC=CC=C2C)C3CCCC3

Isomeric SMILES

CC[N+](CC(C1=CC(=C(C=C1)O)C(=O)N)O)(CNC2=CC=CC=C2C)C3CCCC3

InChI

InChI=1S/C24H33N3O3/c1-3-27(19-9-5-6-10-19,16-26-21-11-7-4-8-17(21)2)15-23(29)18-12-13-22(28)20(14-18)24(25)30/h4,7-8,11-14,19,23,26,29H,3,5-6,9-10,15-16H2,1-2H3,(H2-,25,28,30)/p+1