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

Systemtic Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide Openeye Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide CAS Name: N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-N-[(2-phenyl-3-pyrazolyl)methyl]cycloheptanecarboxamide IUPAC Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide Traditional Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide Formula: C26H41N5O+2 MolecularWeight: 439.63664

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)C4CCCCCC4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN(CC2=CC=NN2C3=CC=CC=C3)C(=O)C4CCCCCC4

InChI

InChI=1S/C26H39N5O/c1-28-18-20-29(21-19-28)16-9-17-30(26(32)23-10-5-2-3-6-11-23)22-25-14-15-27-31(25)24-12-7-4-8-13-24/h4,7-8,12-15,23H,2-3,5-6,9-11,16-22H2,1H3/p+2