9-[(1S)-1-(benzotriazol-1-yl)-3-pyrrolidin-1-ium-1-yl-propyl]carbazole

Systemtic Name: 9-[(1S)-1-(benzotriazol-1-yl)-3-pyrrolidin-1-ium-1-yl-propyl]carbazole Openeye Name: 9-[(1S)-1-(benzotriazol-1-yl)-3-pyrrolidin-1-ium-1-yl-propyl]carbazole CAS Name: 9-[(1S)-1-(1-benzotriazolyl)-3-(1-pyrrolidin-1-iumyl)propyl]carbazole IUPAC Name: 9-[(1S)-1-(benzotriazol-1-yl)-3-pyrrolidin-1-ium-1-ylpropyl]carbazole Traditional Name: 9-[(1S)-1-(benzotriazol-1-yl)-3-pyrrolidin-1-ium-1-yl-propyl]carbazole Formula: C25H26N5+ MolecularWeight: 396.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCC(N2C3=CC=CC=C3C4=CC=CC=C42)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CC[NH+](C1)CC[C@@H](N2C3=CC=CC=C3C4=CC=CC=C42)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C25H25N5/c1-4-12-22-19(9-1)20-10-2-5-13-23(20)29(22)25(15-18-28-16-7-8-17-28)30-24-14-6-3-11-21(24)26-27-30/h1-6,9-14,25H,7-8,15-18H2/p+1/t25-/m0/s1