[4-[(E)-3-(4-carbamimidoylphenoxy)-3-oxidanylidene-prop-1-enyl]-3-methyl-phenyl]-diethyl-oxidanyl-azanium hydrochloride

Systemtic Name: [4-[(E)-3-(4-carbamimidoylphenoxy)-3-oxidanylidene-prop-1-enyl]-3-methyl-phenyl]-diethyl-oxidanyl-azanium hydrochloride Openeye Name: [4-[(E)-3-(4-carbamimidoylphenoxy)-3-oxo-prop-1-enyl]-3-methyl-phenyl]-diethyl-hydroxy-ammonium hydrochloride CAS Name: [4-[(E)-3-(4-carbamimidoylphenoxy)-3-oxoprop-1-enyl]-3-methylphenyl]-diethyl-hydroxyammonium hydrochloride IUPAC Name: [4-[(E)-3-(4-carbamimidoylphenoxy)-3-oxoprop-1-enyl]-3-methylphenyl]-diethyl-hydroxyazanium hydrochloride Traditional Name: [4-[(E)-3-(4-amidinophenoxy)-3-keto-prop-1-enyl]-3-methyl-phenyl]-diethyl-hydroxy-ammonium hydrochloride Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C1=CC(=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C(=N)N)C)O.Cl

Isomeric SMILES

CC[N+](CC)(C1=CC(=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)C(=N)N)C)O.Cl

InChI

InChI=1S/C21H26N3O3.ClH/c1-4-24(26,5-2)18-10-6-16(15(3)14-18)9-13-20(25)27-19-11-7-17(8-12-19)21(22)23;/h6-14,26H,4-5H2,1-3H3,(H3,22,23);1H/q+1;/b13-9+;