2,4,8,10-tetratert-butyl-6,6-dipropyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium

Systemtic Name: 2,4,8,10-tetratert-butyl-6,6-dipropyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium Openeye Name: 2,4,8,10-tetratert-butyl-6,6-dipropyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium CAS Name: 2,4,8,10-tetratert-butyl-6,6-dipropyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium IUPAC Name: 2,4,8,10-tetratert-butyl-6,6-dipropyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium Traditional Name: 2,4,8,10-tetratert-butyl-6,6-dipropyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium Formula: C36H58N+ MolecularWeight: 504.85242

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CC2=C(C=C(C=C2C3=CC(=CC(=C3C1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)CCC

Isomeric SMILES

CCC[N+]1(CC2=C(C=C(C=C2C3=CC(=CC(=C3C1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)CCC

InChI

InChI=1S/C36H58N/c1-15-17-37(18-16-2)23-29-27(19-25(33(3,4)5)21-31(29)35(9,10)11)28-20-26(34(6,7)8)22-32(30(28)24-37)36(12,13)14/h19-22H,15-18,23-24H2,1-14H3/q+1