ethyl 2-[4-(4-carbamimidoylphenyl)-1-(2-ethoxy-2-oxidanylidene-ethyl)-4-piperazin-1-yl-piperidin-3-yl]ethanoate hydrochloride

Systemtic Name: ethyl 2-[4-(4-carbamimidoylphenyl)-1-(2-ethoxy-2-oxidanylidene-ethyl)-4-piperazin-1-yl-piperidin-3-yl]ethanoate hydrochloride Openeye Name: ethyl 2-[4-(4-carbamimidoylphenyl)-1-(2-ethoxy-2-oxo-ethyl)-4-piperazin-1-yl-3-piperidyl]acetate hydrochloride CAS Name: 2-[4-(4-carbamimidoylphenyl)-1-(2-ethoxy-2-oxoethyl)-4-(1-piperazinyl)-3-piperidinyl]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[4-(4-carbamimidoylphenyl)-1-(2-ethoxy-2-oxoethyl)-4-piperazin-1-ylpiperidin-3-yl]acetate hydrochloride Traditional Name: 2-[4-(4-amidinophenyl)-1-(2-ethoxy-2-keto-ethyl)-4-piperazino-3-piperidyl]acetic acid ethyl ester hydrochloride Formula: C24H38ClN5O4 MolecularWeight: 496.04262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CN(CCC1(C2=CC=C(C=C2)C(=N)N)N3CCNCC3)CC(=O)OCC.Cl

Isomeric SMILES

CCOC(=O)CC1CN(CCC1(C2=CC=C(C=C2)C(=N)N)N3CCNCC3)CC(=O)OCC.Cl

InChI

InChI=1S/C24H37N5O4.ClH/c1-3-32-21(30)15-20-16-28(17-22(31)33-4-2)12-9-24(20,29-13-10-27-11-14-29)19-7-5-18(6-8-19)23(25)26;/h5-8,20,27H,3-4,9-17H2,1-2H3,(H3,25,26);1H