1-[(S)-naphthalen-1-yl(piperidin-1-ium-1-yl)methyl]benzotriazole

Systemtic Name: 1-[(S)-naphthalen-1-yl(piperidin-1-ium-1-yl)methyl]benzotriazole Openeye Name: 1-[(S)-1-naphthyl(piperidin-1-ium-1-yl)methyl]benzotriazole CAS Name: 1-[(S)-1-naphthalenyl(1-piperidin-1-iumyl)methyl]benzotriazole IUPAC Name: 1-[(S)-naphthalen-1-yl(piperidin-1-ium-1-yl)methyl]benzotriazole Traditional Name: 1-[(S)-1-naphthyl(piperidin-1-ium-1-yl)methyl]benzotriazole Formula: C22H23N4+ MolecularWeight: 343.44482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CC=CC3=CC=CC=C32)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC[NH+](CC1)[C@H](C2=CC=CC3=CC=CC=C32)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H22N4/c1-6-15-25(16-7-1)22(26-21-14-5-4-13-20(21)23-24-26)19-12-8-10-17-9-2-3-11-18(17)19/h2-5,8-14,22H,1,6-7,15-16H2/p+1/t22-/m0/s1