[1-[2-(3-carbamimidoylphenoxy)ethyl]-1-(phenylcarbonyl)piperidin-1-ium-4-yl]carbamic acid

Systemtic Name: [1-[2-(3-carbamimidoylphenoxy)ethyl]-1-(phenylcarbonyl)piperidin-1-ium-4-yl]carbamic acid Openeye Name: [1-benzoyl-1-[2-(3-carbamimidoylphenoxy)ethyl]piperidin-1-ium-4-yl]carbamic acid CAS Name: [1-benzoyl-1-[2-(3-carbamimidoylphenoxy)ethyl]-4-piperidin-1-iumyl]carbamic acid IUPAC Name: [1-benzoyl-1-[2-(3-carbamimidoylphenoxy)ethyl]piperidin-1-ium-4-yl]carbamic acid Traditional Name: [1-[2-(3-amidinophenoxy)ethyl]-1-benzoyl-piperidin-1-ium-4-yl]carbamic acid Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1NC(=O)O)(CCOC2=CC=CC(=C2)C(=N)N)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[N+](CCC1NC(=O)O)(CCOC2=CC=CC(=C2)C(=N)N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4/c23-20(24)17-7-4-8-19(15-17)30-14-13-26(21(27)16-5-2-1-3-6-16)11-9-18(10-12-26)25-22(28)29/h1-8,15,18,25H,9-14H2,(H3-,23,24,28,29)/p+1