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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-methyl-5-(1-methylpiperidin-4-yl)oxy-phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-methyl-5-[(1-methyl-4-piperidyl)oxy]phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-methyl-5-[(1-methyl-4-piperidinyl)oxy]phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-methyl-5-(1-methylpiperidin-4-yl)oxyphenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-methyl-5-[(1-methyl-4-piperidyl)oxy]phenyl]acetate hydrochloride Formula: C22H28ClN4O3- MolecularWeight: 431.93572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2CCN(CC2)C)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)OC2CCN(CC2)C)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C22H28N4O3.ClH/c1-14-11-16(13-19(12-14)29-18-7-9-26(2)10-8-18)20(22(27)28)25-17-5-3-15(4-6-17)21(23)24;/h3-6,11-13,18,20,25H,7-10H2,1-2H3,(H3,23,24)(H,27,28);1H/p-1