(6R)-3-chloranyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-amine

Systemtic Name: (6R)-3-chloranyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-amine Openeye Name: (6R)-3-chloro-N-(3-pyrrolidin-1-ium-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-amine CAS Name: (6R)-3-chloro-N-[3-(1-pyrrolidin-1-iumyl)propyl]-5,6-dihydrobenzo[b][1]benzothiepin-6-amine IUPAC Name: (6R)-3-chloro-N-(3-pyrrolidin-1-ium-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-amine Traditional Name: [(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)amine Formula: C21H26ClN2S+ MolecularWeight: 373.96254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

C1CC[NH+](C1)CCCN[C@@H]2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C21H25ClN2S/c22-17-8-9-20-16(14-17)15-19(18-6-1-2-7-21(18)25-20)23-10-5-13-24-11-3-4-12-24/h1-2,6-9,14,19,23H,3-5,10-13,15H2/p+1/t19-/m1/s1