2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-5-(1-methylpiperidin-4-yl)oxy-phenyl]ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-5-(1-methylpiperidin-4-yl)oxy-phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-[(1-methyl-4-piperidyl)oxy]phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-[(1-methyl-4-piperidinyl)oxy]phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(1-methylpiperidin-4-yl)oxyphenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-ethyl-5-[(1-methyl-4-piperidyl)oxy]phenyl]acetate hydrochloride Formula: C23H30ClN4O3- MolecularWeight: 445.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OC2CCN(CC2)C)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)OC2CCN(CC2)C)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C23H30N4O3.ClH/c1-3-15-12-17(14-20(13-15)30-19-8-10-27(2)11-9-19)21(23(28)29)26-18-6-4-16(5-7-18)22(24)25;/h4-7,12-14,19,21,26H,3,8-11H2,1-2H3,(H3,24,25)(H,28,29);1H/p-1