cyclohexyl-[(5R)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: cyclohexyl-[(5R)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclohexyl-[(5R)-3-(4-methylpiperazin-4-ium-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclohexyl-[(5R)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclohexyl-[(5R)-3-(4-methylpiperazin-4-ium-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclohexyl-[(5R)-3-(4-methylpiperazin-4-ium-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H39N5O+2 MolecularWeight: 389.57796

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH2+]C3CCCCC3)C(=N1)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCC3)C(=N1)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H37N5O/c1-3-11-27-20-10-9-18(23-17-7-5-4-6-8-17)16-19(20)21(24-27)22(28)26-14-12-25(2)13-15-26/h17-18,23H,3-16H2,1-2H3/p+2/t18-/m1/s1