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

Systemtic Name: N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cycloheptanecarboxamide Openeye Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cycloheptanecarboxamide CAS Name: N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]-N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]cycloheptanecarboxamide IUPAC Name: N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cycloheptanecarboxamide Traditional Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cycloheptanecarboxamide Formula: C21H38ClN5O+2 MolecularWeight: 412.01232

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN(CC2=NN(C=C2Cl)C)C(=O)C3CCCCCC3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN(CC2=NN(C=C2Cl)C)C(=O)C3CCCCCC3

InChI

InChI=1S/C21H36ClN5O/c1-24-12-14-26(15-13-24)10-7-11-27(17-20-19(22)16-25(2)23-20)21(28)18-8-5-3-4-6-9-18/h16,18H,3-15,17H2,1-2H3/p+2