azepan-1-yl-[1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(3-chlorobenzothiophen-2-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(3-chlorobenzothiophen-2-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C21H28ClN2OS+ MolecularWeight: 391.97782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H27ClN2OS/c22-20-17-7-3-4-8-18(17)26-19(20)15-23-13-9-16(10-14-23)21(25)24-11-5-1-2-6-12-24/h3-4,7-8,16H,1-2,5-6,9-15H2/p+1