1-methyl-4-phenyl-1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazin-1-ium

Systemtic Name: 1-methyl-4-phenyl-1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazin-1-ium Openeye Name: 1-methyl-4-phenyl-1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazin-1-ium CAS Name: 1-methyl-4-phenyl-1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazin-1-ium IUPAC Name: 1-methyl-4-phenyl-1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazin-1-ium Traditional Name: 1-methyl-4-phenyl-1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazin-1-ium Formula: C21H27N2S+ MolecularWeight: 339.51748

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC=CC=C2)C3CCCSC4=CC=CC=C34

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC=CC=C2)C3CCCSC4=CC=CC=C34

InChI

InChI=1S/C21H27N2S/c1-23(15-13-22(14-16-23)18-8-3-2-4-9-18)20-11-7-17-24-21-12-6-5-10-19(20)21/h2-6,8-10,12,20H,7,11,13-17H2,1H3/q+1