(5S)-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbaldehyde

Systemtic Name: (5S)-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbaldehyde Openeye Name: (5S)-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbaldehyde CAS Name: (5S)-5-(4-methyl-1-piperazin-4-iumyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-carboxaldehyde IUPAC Name: (5S)-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbaldehyde Traditional Name: (5S)-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-carbaldehyde Formula: C20H23N2OS+ MolecularWeight: 339.47442

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C=O

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H]2CC3=CC=CC=C3SC4=C2C=C(C=C4)C=O

InChI

InChI=1S/C20H22N2OS/c1-21-8-10-22(11-9-21)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-23)12-17(18)20/h2-7,12,14,18H,8-11,13H2,1H3/p+1/t18-/m0/s1