1-[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4-(2-ethoxyethyl)piperazin-4-ium

Systemtic Name: 1-[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4-(2-ethoxyethyl)piperazin-4-ium Openeye Name: 1-[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4-(2-ethoxyethyl)piperazin-4-ium CAS Name: 1-[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4-(2-ethoxyethyl)piperazin-4-ium IUPAC Name: 1-[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4-(2-ethoxyethyl)piperazin-4-ium Traditional Name: 1-[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4-(2-ethoxyethyl)piperazin-4-ium Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC[NH+]1CCN(CC1)C2C3=CC=CC=C3CSC4=CC=CC=C24

Isomeric SMILES

CCOCC[NH+]1CCN(CC1)[C@@H]2C3=CC=CC=C3CSC4=CC=CC=C24

InChI

InChI=1S/C22H28N2OS/c1-2-25-16-15-23-11-13-24(14-12-23)22-19-8-4-3-7-18(19)17-26-21-10-6-5-9-20(21)22/h3-10,22H,2,11-17H2,1H3/p+1/t22-/m1/s1