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

Systemtic Name: butyl-methyl-[(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-methyl-ammonium CAS Name: butyl-methyl-[(5S)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: butyl-methyl-[(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-methyl-ammonium Formula: C21H37N5O+2 MolecularWeight: 375.55138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O/c1-5-7-11-24(4)17-8-9-19-18(16-17)20(22-26(19)10-6-2)21(27)25-14-12-23(3)13-15-25/h6,17H,2,5,7-16H2,1,3-4H3/p+2/t17-/m0/s1