[2-[(4-butoxycarbonylphenyl)-butyl-amino]-2-oxidanylidene-ethyl]-butyl-azanium chloride

Systemtic Name: [2-[(4-butoxycarbonylphenyl)-butyl-amino]-2-oxidanylidene-ethyl]-butyl-azanium chloride Openeye Name: [2-(4-butoxycarbonyl-N-butyl-anilino)-2-oxo-ethyl]-butyl-ammonium chloride CAS Name: [2-[4-[butoxy(oxo)methyl]-N-butylanilino]-2-oxoethyl]-butylammonium chloride IUPAC Name: [2-(4-butoxycarbonyl-N-butylanilino)-2-oxoethyl]-butylazanium chloride Traditional Name: [2-(4-butoxycarbonyl-N-butyl-anilino)-2-keto-ethyl]-butyl-ammonium chloride Formula: C21H35ClN2O3 MolecularWeight: 398.9672

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC(=O)N(CCCC)C1=CC=C(C=C1)C(=O)OCCCC.[Cl-]

Isomeric SMILES

CCCC[NH2+]CC(=O)N(CCCC)C1=CC=C(C=C1)C(=O)OCCCC.[Cl-]

InChI

InChI=1S/C21H34N2O3.ClH/c1-4-7-14-22-17-20(24)23(15-8-5-2)19-12-10-18(11-13-19)21(25)26-16-9-6-3;/h10-13,22H,4-9,14-17H2,1-3H3;1H