2-[1-[1-(4-carbamimidoylphenyl)piperazin-1-ium-1-yl]carbonylpiperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[1-(4-carbamimidoylphenyl)piperazin-1-ium-1-yl]carbonylpiperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[1-(4-carbamimidoylphenyl)piperazin-1-ium-1-carbonyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[[1-(4-carbamimidoylphenyl)-1-piperazin-1-iumyl]-oxomethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[1-(4-carbamimidoylphenyl)piperazin-1-ium-1-carbonyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[1-(4-amidinophenyl)piperazin-1-ium-1-carbonyl]-4-piperidyl]acetic acid Formula: C19H28N5O3+ MolecularWeight: 374.45732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)O)C(=O)[N+]2(CCNCC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1CC(=O)O)C(=O)[N+]2(CCNCC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H27N5O3/c20-18(21)15-1-3-16(4-2-15)24(11-7-22-8-12-24)19(27)23-9-5-14(6-10-23)13-17(25)26/h1-4,14,22H,5-13H2,(H3-,20,21,25,26)/p+1