N-[1-(4-dodecoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride

Systemtic Name: N-[1-(4-dodecoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride Openeye Name: N-[1-(4-dodecoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride CAS Name: N-[1-(4-dodecoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride IUPAC Name: N-[1-(4-dodecoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride Traditional Name: 1-(4-lauryloxyphenyl)ethyl-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine hydrochloride Formula: C26H45ClN2O MolecularWeight: 437.1013

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(C)NC2=NCCCCC2.Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(C)NC2=NCCCCC2.Cl

InChI

InChI=1S/C26H44N2O.ClH/c1-3-4-5-6-7-8-9-10-11-15-22-29-25-19-17-24(18-20-25)23(2)28-26-16-13-12-14-21-27-26;/h17-20,23H,3-16,21-22H2,1-2H3,(H,27,28);1H