9-[(2S)-2-(benzotriazol-1-yl)-1-phenyl-4-pyrrolidin-1-ium-1-yl-butan-2-yl]carbazole

Systemtic Name: 9-[(2S)-2-(benzotriazol-1-yl)-1-phenyl-4-pyrrolidin-1-ium-1-yl-butan-2-yl]carbazole Openeye Name: 9-[(1S)-1-(benzotriazol-1-yl)-1-benzyl-3-pyrrolidin-1-ium-1-yl-propyl]carbazole CAS Name: 9-[(2S)-2-(1-benzotriazolyl)-1-phenyl-4-(1-pyrrolidin-1-iumyl)butan-2-yl]carbazole IUPAC Name: 9-[(2S)-2-(benzotriazol-1-yl)-1-phenyl-4-pyrrolidin-1-ium-1-ylbutan-2-yl]carbazole Traditional Name: 9-[(1S)-1-(benzotriazol-1-yl)-1-benzyl-3-pyrrolidin-1-ium-1-yl-propyl]carbazole Formula: C32H32N5+ MolecularWeight: 486.62998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCC(CC2=CC=CC=C2)(N3C4=CC=CC=C4C5=CC=CC=C53)N6C7=CC=CC=C7N=N6

Isomeric SMILES

C1CC[NH+](C1)CC[C@@](CC2=CC=CC=C2)(N3C4=CC=CC=C4C5=CC=CC=C53)N6C7=CC=CC=C7N=N6

InChI

InChI=1S/C32H31N5/c1-2-12-25(13-3-1)24-32(20-23-35-21-10-11-22-35,37-31-19-9-6-16-28(31)33-34-37)36-29-17-7-4-14-26(29)27-15-5-8-18-30(27)36/h1-9,12-19H,10-11,20-24H2/p+1/t32-/m1/s1