cyclooctyl-[(5S)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: cyclooctyl-[(5S)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-cyclooctyl-ammonium CAS Name: cyclooctyl-[(5S)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclooctyl-[(5S)-3-(4-methylpiperazin-4-ium-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-cyclooctyl-ammonium Formula: C24H41N5O+2 MolecularWeight: 415.61524

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C3=C2CC(CC3)[NH2+]C4CCCCCCC4)CC=C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C3=C2C[C@H](CC3)[NH2+]C4CCCCCCC4)CC=C

InChI

InChI=1S/C24H39N5O/c1-3-13-29-22-12-11-20(25-19-9-7-5-4-6-8-10-19)18-21(22)23(26-29)24(30)28-16-14-27(2)15-17-28/h3,19-20,25H,1,4-18H2,2H3/p+2/t20-/m0/s1