furan-2-ylmethyl-methyl-[(5S)-1-methyl-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[(5S)-1-methyl-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-furylmethyl-methyl-[(5S)-1-methyl-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-furanylmethyl-methyl-[(5S)-1-methyl-3-[oxo-[2-(1-piperidin-1-iumyl)ethylamino]methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[(5S)-1-methyl-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-furfuryl-methyl-[(5S)-1-methyl-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H35N5O2+2 MolecularWeight: 401.5456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+](C)CC3=CC=CO3)C(=N1)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH+](C)CC3=CC=CO3)C(=N1)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C22H33N5O2/c1-25(16-18-7-6-14-29-18)17-8-9-20-19(15-17)21(24-26(20)2)22(28)23-10-13-27-11-4-3-5-12-27/h6-7,14,17H,3-5,8-13,15-16H2,1-2H3,(H,23,28)/p+2/t17-/m0/s1