4-(2-azanylcycloheptyl)butyl-butyl-(3-dodecoxypropyl)-(phenylmethyl)azanium

Systemtic Name: 4-(2-azanylcycloheptyl)butyl-butyl-(3-dodecoxypropyl)-(phenylmethyl)azanium Openeye Name: 4-(2-aminocycloheptyl)butyl-benzyl-butyl-(3-dodecoxypropyl)ammonium CAS Name: 4-(2-aminocycloheptyl)butyl-butyl-(3-dodecoxypropyl)-(phenylmethyl)ammonium IUPAC Name: 4-(2-aminocycloheptyl)butyl-benzyl-butyl-(3-dodecoxypropyl)azanium Traditional Name: 4-(2-aminocycloheptyl)butyl-benzyl-butyl-(3-lauryloxypropyl)ammonium Formula: C37H69N2O+ MolecularWeight: 557.95656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCC[N+](CCCC)(CCCCC1CCCCCC1N)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCOCCC[N+](CCCC)(CCCCC1CCCCCC1N)CC2=CC=CC=C2

InChI

InChI=1S/C37H69N2O/c1-3-5-7-8-9-10-11-12-13-22-32-40-33-23-31-39(29-6-4-2,34-35-24-16-14-17-25-35)30-21-20-27-36-26-18-15-19-28-37(36)38/h14,16-17,24-25,36-37H,3-13,15,18-23,26-34,38H2,1-2H3/q+1