[(5R,6S)-5-azaniumyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-dibutyl-azanium

Systemtic Name: [(5R,6S)-5-azaniumyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-dibutyl-azanium Openeye Name: [(5R,6S)-5-azaniumyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-dibutyl-ammonium CAS Name: [(5R,6S)-5-ammonio-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-dibutylammonium IUPAC Name: [(5R,6S)-5-azaniumyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-dibutylazanium Traditional Name: [(5R,6S)-5-ammonio-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl]-dibutyl-ammonium Formula: C19H34N2+2 MolecularWeight: 290.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)C1CCCC2=CC=CC=C2C1[NH3+]

Isomeric SMILES

CCCC[NH+](CCCC)[C@H]1CCCC2=CC=CC=C2[C@H]1[NH3+]

InChI

InChI=1S/C19H32N2/c1-3-5-14-21(15-6-4-2)18-13-9-11-16-10-7-8-12-17(16)19(18)20/h7-8,10,12,18-19H,3-6,9,11,13-15,20H2,1-2H3/p+2/t18-,19+/m0/s1