(3-chloranyl-1-benzothiophen-2-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-chlorobenzothiophen-2-yl)methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-chloro-1-benzothiophen-2-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-chlorobenzothiophen-2-yl)methanone Formula: C26H24ClN2OS+ MolecularWeight: 447.99956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C26H23ClN2OS/c27-23-21-13-7-8-14-22(21)31-25(23)26(30)29-17-15-28(16-18-29)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,24H,15-18H2/p+1