(3-chloranyl-1-benzothiophen-2-yl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)-1-piperidyl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[(2S)-2-[2-(1-piperidin-1-iumyl)ethyl]-1-piperidinyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidino]methanone Formula: C21H28ClN2OS+ MolecularWeight: 391.97782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC2CCCCN2C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC[C@@H]2CCCCN2C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H27ClN2OS/c22-19-17-9-2-3-10-18(17)26-20(19)21(25)24-14-7-4-8-16(24)11-15-23-12-5-1-6-13-23/h2-3,9-10,16H,1,4-8,11-15H2/p+1/t16-/m0/s1