(3S)-3-phenyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S)-3-phenyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-1-ium-3-ol Openeye Name: (3S)-3-phenyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-1-ium-3-ol CAS Name: (3S)-3-phenyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S)-3-phenyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-1-ium-3-ol Traditional Name: (3S)-3-phenyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-1-ium-3-ol Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2)C[NH+]3CCC(C3)(C4=CC=CC=C4)O

Isomeric SMILES

C1CCC2=C(C1)C(=NN2)C[NH+]3CC[C@@](C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C18H23N3O/c22-18(14-6-2-1-3-7-14)10-11-21(13-18)12-17-15-8-4-5-9-16(15)19-20-17/h1-3,6-7,22H,4-5,8-13H2,(H,19,20)/p+1/t18-/m1/s1