bis[(1R,2S)-1-(benzotriazol-1-yl)-2-phenyl-propyl]azanium

Systemtic Name: bis[(1R,2S)-1-(benzotriazol-1-yl)-2-phenyl-propyl]azanium Openeye Name: bis[(1R,2S)-1-(benzotriazol-1-yl)-2-phenyl-propyl]ammonium CAS Name: bis[(1R,2S)-1-(1-benzotriazolyl)-2-phenylpropyl]ammonium IUPAC Name: bis[(1R,2S)-1-(benzotriazol-1-yl)-2-phenylpropyl]azanium Traditional Name: bis[(1R,2S)-1-(benzotriazol-1-yl)-2-phenyl-propyl]ammonium Formula: C30H30N7+ MolecularWeight: 488.6061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C([NH2+]C(C(C)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[C@H]([NH2+][C@@H]([C@@H](C)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C30H29N7/c1-21(23-13-5-3-6-14-23)29(36-27-19-11-9-17-25(27)32-34-36)31-30(22(2)24-15-7-4-8-16-24)37-28-20-12-10-18-26(28)33-35-37/h3-22,29-31H,1-2H3/p+1/t21-,22-,29+,30+/m0/s1