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

Systemtic Name: cyclohexylmethyl-[(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]-(cyclohexylmethyl)ammonium CAS Name: cyclohexylmethyl-[(5S)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclohexylmethyl-[(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]-(cyclohexylmethyl)ammonium Formula: C23H39N5O+2 MolecularWeight: 401.58866

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C3=C2CC(CC3)[NH2+]CC4CCCCC4)CC=C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C3=C2C[C@H](CC3)[NH2+]CC4CCCCC4)CC=C

InChI

InChI=1S/C23H37N5O/c1-3-11-28-21-10-9-19(24-17-18-7-5-4-6-8-18)16-20(21)22(25-28)23(29)27-14-12-26(2)13-15-27/h3,18-19,24H,1,4-17H2,2H3/p+2/t19-/m0/s1