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

Systemtic Name: furan-2-ylmethyl-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]-(2-furylmethyl)-methyl-ammonium CAS Name: 2-furanylmethyl-methyl-[(5S)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: furan-2-ylmethyl-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]-(2-furfuryl)-methyl-ammonium Formula: C22H33N5O2+2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C3=C2CC(CC3)[NH+](C)CC4=CC=CO4)CC=C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C3=C2C[C@H](CC3)[NH+](C)CC4=CC=CO4)CC=C

InChI

InChI=1S/C22H31N5O2/c1-4-9-27-20-8-7-17(25(3)16-18-6-5-14-29-18)15-19(20)21(23-27)22(28)26-12-10-24(2)11-13-26/h4-6,14,17H,1,7-13,15-16H2,2-3H3/p+2/t17-/m0/s1