furan-2-ylmethyl-[(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-[(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)ammonium CAS Name: 2-furanylmethyl-[(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-[(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)ammonium Formula: C21H31N5O2+2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C3=C2CC(CC3)[NH2+]CC4=CC=CO4)CC=C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C3=C2C[C@H](CC3)[NH2+]CC4=CC=CO4)CC=C

InChI

InChI=1S/C21H29N5O2/c1-3-8-26-19-7-6-16(22-15-17-5-4-13-28-17)14-18(19)20(23-26)21(27)25-11-9-24(2)10-12-25/h3-5,13,16,22H,1,6-12,14-15H2,2H3/p+2/t16-/m0/s1