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

Systemtic Name: 2-[2-(4-carbamimidoyl-2-phenyl-piperazin-1-yl)-1-(phenylmethyl)piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-benzyl-2-(4-carbamimidoyl-2-phenyl-piperazin-1-yl)piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-(4-carbamimidoyl-2-phenyl-1-piperazinyl)-1-(phenylmethyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[1-benzyl-2-(4-carbamimidoyl-2-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-(4-amidino-2-phenyl-piperazino)-1-benzyl-piperidin-1-ium-1-yl]acetic acid Formula: C25H34N5O2+ MolecularWeight: 436.56976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)N2CCN(CC2C3=CC=CC=C3)C(=N)N)(CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1CC[N+](C(C1)N2CCN(CC2C3=CC=CC=C3)C(=N)N)(CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C25H33N5O2/c26-25(27)28-14-15-29(22(17-28)21-11-5-2-6-12-21)23-13-7-8-16-30(23,19-24(31)32)18-20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H3-,26,27,31,32)/p+1