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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(C(C1)C(=O)OC)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CC[N+]1(CCC(C(C1)C(=O)OC)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

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