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

Systemtic Name: 2-[2-(4-carbamimidoyl-2-phenyl-piperazin-1-yl)-1-methyl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-(4-carbamimidoyl-2-phenyl-piperazin-1-yl)-1-methyl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-(4-carbamimidoyl-2-phenyl-1-piperazinyl)-1-methyl-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[2-(4-carbamimidoyl-2-phenylpiperazin-1-yl)-1-methylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-(4-amidino-2-phenyl-piperazino)-1-methyl-piperidin-1-ium-1-yl]acetic acid Formula: C19H30N5O2+ MolecularWeight: 360.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1N2CCN(CC2C3=CC=CC=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C[N+]1(CCCCC1N2CCN(CC2C3=CC=CC=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C19H29N5O2/c1-24(14-18(25)26)12-6-5-9-17(24)23-11-10-22(19(20)21)13-16(23)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3,(H3-,20,21,25,26)/p+1