(3S)-3-phenyl-1-[4-(1,2,4-triazol-1-yl)butyl]pyrrolidin-1-ium-3-ol

Systemtic Name: (3S)-3-phenyl-1-[4-(1,2,4-triazol-1-yl)butyl]pyrrolidin-1-ium-3-ol Openeye Name: (3S)-3-phenyl-1-[4-(1,2,4-triazol-1-yl)butyl]pyrrolidin-1-ium-3-ol CAS Name: (3S)-3-phenyl-1-[4-(1,2,4-triazol-1-yl)butyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S)-3-phenyl-1-[4-(1,2,4-triazol-1-yl)butyl]pyrrolidin-1-ium-3-ol Traditional Name: (3S)-3-phenyl-1-[4-(1,2,4-triazol-1-yl)butyl]pyrrolidin-1-ium-3-ol Formula: C16H23N4O+ MolecularWeight: 287.38002

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1(C2=CC=CC=C2)O)CCCCN3C=NC=N3

Isomeric SMILES

C1C[NH+](C[C@]1(C2=CC=CC=C2)O)CCCCN3C=NC=N3

InChI

InChI=1S/C16H22N4O/c21-16(15-6-2-1-3-7-15)8-11-19(12-16)9-4-5-10-20-14-17-13-18-20/h1-3,6-7,13-14,21H,4-5,8-12H2/p+1/t16-/m1/s1