(3-chloranyl-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (3-chloro-6-methyl-benzothiophen-2-yl)-[4-[2-(4-pyridyl)ethyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (3-chloro-6-methyl-benzothiophen-2-yl)-[4-[2-(4-pyridyl)ethyl]-1,4-diazepan-4-ium-1-yl]methanone Formula: C22H25ClN3OS+ MolecularWeight: 414.9714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCC[NH+](CC3)CCC4=CC=NC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCC[NH+](CC3)CCC4=CC=NC=C4)Cl

InChI

InChI=1S/C22H24ClN3OS/c1-16-3-4-18-19(15-16)28-21(20(18)23)22(27)26-11-2-10-25(13-14-26)12-7-17-5-8-24-9-6-17/h3-6,8-9,15H,2,7,10-14H2,1H3/p+1