2-[(4-carbamimidoylphenyl)amino]-2-[3-(ethylamino)-5-methyl-phenyl]ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-(ethylamino)-5-methyl-phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-(ethylamino)-5-methyl-phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-(ethylamino)-5-methylphenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-(ethylamino)-5-methylphenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-(ethylamino)-5-methyl-phenyl]acetate hydrochloride Formula: C18H22ClN4O2- MolecularWeight: 361.84588

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)C.Cl

Isomeric SMILES

CCNC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)C.Cl

InChI

InChI=1S/C18H22N4O2.ClH/c1-3-21-15-9-11(2)8-13(10-15)16(18(23)24)22-14-6-4-12(5-7-14)17(19)20;/h4-10,16,21-22H,3H2,1-2H3,(H3,19,20)(H,23,24);1H/p-1