2-[2-(4-carbamimidoyl-1-phenyl-piperidin-4-yl)-1-methyl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-(4-carbamimidoyl-1-phenyl-piperidin-4-yl)-1-methyl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-(4-carbamimidoyl-1-phenyl-4-piperidyl)-1-methyl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-(4-carbamimidoyl-1-phenyl-4-piperidinyl)-1-methyl-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[2-(4-carbamimidoyl-1-phenylpiperidin-4-yl)-1-methylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-(4-amidino-1-phenyl-4-piperidyl)-1-methyl-piperidin-1-ium-1-yl]acetic acid Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1C2(CCN(CC2)C3=CC=CC=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C[N+]1(CCCCC1C2(CCN(CC2)C3=CC=CC=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C20H30N4O2/c1-24(15-18(25)26)14-6-5-9-17(24)20(19(21)22)10-12-23(13-11-20)16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3,(H3-,21,22,25,26)/p+1