2-[2-(4-carbamimidoyl-2-methyl-phenyl)-2-piperazin-1-yl-piperidin-1-yl]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[2-(4-carbamimidoyl-2-methyl-phenyl)-2-piperazin-1-yl-piperidin-1-yl]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[2-(4-carbamimidoyl-2-methyl-phenyl)-2-piperazin-1-yl-1-piperidyl]acetate; 2,2,2-trifluoroacetic acid CAS Name: 2-[2-(4-carbamimidoyl-2-methylphenyl)-2-(1-piperazinyl)-1-piperidinyl]acetate; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[2-(4-carbamimidoyl-2-methylphenyl)-2-piperazin-1-ylpiperidin-1-yl]acetate; 2,2,2-trifluoroacetic acid Traditional Name: 2-[2-(4-amidino-2-methyl-phenyl)-2-piperazino-piperidino]acetate; 2,2,2-trifluoroacetic acid Formula: C21H29F3N5O4- MolecularWeight: 472.48127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)C2(CCCCN2CC(=O)[O-])N3CCNCC3.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)C2(CCCCN2CC(=O)[O-])N3CCNCC3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H29N5O2.C2HF3O2/c1-14-12-15(18(20)21)4-5-16(14)19(23-10-7-22-8-11-23)6-2-3-9-24(19)13-17(25)26;3-2(4,5)1(6)7/h4-5,12,22H,2-3,6-11,13H2,1H3,(H3,20,21)(H,25,26);(H,6,7)/p-1