N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cyclohexanecarboxamide

Systemtic Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cyclohexanecarboxamide Openeye Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-N-[(2-phenyl-3-pyrazolyl)methyl]cyclohexanecarboxamide IUPAC Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cyclohexanecarboxamide Traditional Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cyclohexanecarboxamide Formula: C25H39N5O+2 MolecularWeight: 425.61006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN(CC2=CC=NN2C3=CC=CC=C3)C(=O)C4CCCCC4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN(CC2=CC=NN2C3=CC=CC=C3)C(=O)C4CCCCC4

InChI

InChI=1S/C25H37N5O/c1-27-17-19-28(20-18-27)15-8-16-29(25(31)22-9-4-2-5-10-22)21-24-13-14-26-30(24)23-11-6-3-7-12-23/h3,6-7,11-14,22H,2,4-5,8-10,15-21H2,1H3/p+2