[(5S,6S)-5-azanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-butyl-methyl-azanium

Systemtic Name: [(5S,6S)-5-azanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-butyl-methyl-azanium Openeye Name: [(5S,6S)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-butyl-methyl-ammonium CAS Name: [(5S,6S)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-butyl-methylammonium IUPAC Name: [(5S,6S)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-butyl-methylazanium Traditional Name: [(5S,6S)-5-amino-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl]-butyl-methyl-ammonium Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C1CCCC2=CC=CC=C2C1N

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-3-4-12-18(2)15-11-7-9-13-8-5-6-10-14(13)16(15)17/h5-6,8,10,15-16H,3-4,7,9,11-12,17H2,1-2H3/p+1/t15-,16-/m0/s1