2-[4-(4-carbamimidoylphenyl)-1-ethyl-2-(3-methoxycarbonylpiperazin-1-yl)piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)-1-ethyl-2-(3-methoxycarbonylpiperazin-1-yl)piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-(4-carbamimidoylphenyl)-1-ethyl-2-(3-methoxycarbonylpiperazin-1-yl)piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[4-(4-carbamimidoylphenyl)-1-ethyl-2-(3-methoxycarbonyl-1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[4-(4-carbamimidoylphenyl)-1-ethyl-2-(3-methoxycarbonylpiperazin-1-yl)piperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-(4-amidinophenyl)-2-(3-carbomethoxypiperazino)-1-ethyl-piperidin-1-ium-1-yl]acetic acid Formula: C22H34N5O4+ MolecularWeight: 432.53646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1N2CCNC(C2)C(=O)OC)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CC[N+]1(CCC(CC1N2CCNC(C2)C(=O)OC)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C22H33N5O4/c1-3-27(14-20(28)29)11-8-17(15-4-6-16(7-5-15)21(23)24)12-19(27)26-10-9-25-18(13-26)22(30)31-2/h4-7,17-19,25H,3,8-14H2,1-2H3,(H3-,23,24,28,29)/p+1