(5R)-5-(4-methylpiperazine-1,4-diium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbaldehyde

Systemtic Name: (5R)-5-(4-methylpiperazine-1,4-diium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbaldehyde Openeye Name: (5R)-5-(4-methylpiperazine-1,4-diium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbaldehyde CAS Name: (5R)-5-(4-methyl-1-piperazine-1,4-diiumyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-carboxaldehyde IUPAC Name: (5R)-5-(4-methylpiperazine-1,4-diium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbaldehyde Traditional Name: (5R)-5-(4-methylpiperazine-1,4-diium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-carbaldehyde Formula: C20H24N2OS+2 MolecularWeight: 340.48236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CC[NH+](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+2/t18-/m1/s1