1-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]benzotriazole

Systemtic Name: 1-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]benzotriazole Openeye Name: 1-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]benzotriazole CAS Name: 1-[(S)-phenyl(1-pyrrolidin-1-iumyl)methyl]benzotriazole IUPAC Name: 1-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]benzotriazole Traditional Name: 1-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]benzotriazole Formula: C17H19N4+ MolecularWeight: 279.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC[NH+](C1)[C@H](C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H18N4/c1-2-8-14(9-3-1)17(20-12-6-7-13-20)21-16-11-5-4-10-15(16)18-19-21/h1-5,8-11,17H,6-7,12-13H2/p+1/t17-/m0/s1