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

Systemtic Name: furan-2-ylmethyl-methyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-furylmethyl-methyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-furanylmethyl-methyl-[(5S)-1-methyl-3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-furfuryl-methyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+](C)CC3=CC=CO3)C(=N1)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH+](C)CC3=CC=CO3)C(=N1)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2/c1-26(16-19-9-6-14-29-19)18-10-11-21-20(15-18)22(25-27(21)2)23(28)24-13-12-17-7-4-3-5-8-17/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,24,28)/p+1/t18-/m0/s1