3-(4-methylpiperazine-1,4-diium-1-yl)propyl 3-azanyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 3-(4-methylpiperazine-1,4-diium-1-yl)propyl 3-azanyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 3-(4-methylpiperazine-1,4-diium-1-yl)propyl 3-amino-1-benzyl-pyrazole-4-carboxylate CAS Name: 3-amino-1-(phenylmethyl)-4-pyrazolecarboxylic acid 3-(4-methyl-1-piperazine-1,4-diiumyl)propyl ester IUPAC Name: 3-(4-methylpiperazine-1,4-diium-1-yl)propyl 3-amino-1-benzylpyrazole-4-carboxylate Traditional Name: 3-amino-1-benzyl-pyrazole-4-carboxylic acid 3-(4-methylpiperazine-1,4-diium-1-yl)propyl ester Formula: C19H29N5O2+2 MolecularWeight: 359.46586

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCOC(=O)C2=CN(N=C2N)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCOC(=O)C2=CN(N=C2N)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N5O2/c1-22-9-11-23(12-10-22)8-5-13-26-19(25)17-15-24(21-18(17)20)14-16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-14H2,1H3,(H2,20,21)/p+2