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

Systemtic Name: butyl-[(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]-butyl-ammonium CAS Name: butyl-[(5S)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: butyl-[(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]-butyl-ammonium Formula: C20H35N5O+2 MolecularWeight: 361.5248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCC[NH2+][C@H]1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H33N5O/c1-4-6-9-21-16-7-8-18-17(15-16)19(22-25(18)10-5-2)20(26)24-13-11-23(3)12-14-24/h5,16,21H,2,4,6-15H2,1,3H3/p+2/t16-/m0/s1