2-[(4-carbamimidoylphenyl)amino]-2-[3-(diethylaminomethyl)-5-ethoxy-phenyl]ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-(diethylaminomethyl)-5-ethoxy-phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-(diethylaminomethyl)-5-ethoxy-phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-(diethylaminomethyl)-5-ethoxyphenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-(diethylaminomethyl)-5-ethoxyphenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-(diethylaminomethyl)-5-ethoxy-phenyl]acetate hydrochloride Formula: C22H30ClN4O3- MolecularWeight: 433.9516

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=CC(=C1)OCC)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

CCN(CC)CC1=CC(=CC(=C1)OCC)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C22H30N4O3.ClH/c1-4-26(5-2)14-15-11-17(13-19(12-15)29-6-3)20(22(27)28)25-18-9-7-16(8-10-18)21(23)24;/h7-13,20,25H,4-6,14H2,1-3H3,(H3,23,24)(H,27,28);1H/p-1