(3-chloranyl-6-methyl-1-benzothiophen-2-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-chloro-6-methyl-benzothiophen-2-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-chloro-6-methyl-benzothiophen-2-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C22H24ClN2OS+ MolecularWeight: 399.95676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H23ClN2OS/c1-16-7-8-18-19(15-16)27-21(20(18)23)22(26)25-13-11-24(12-14-25)10-9-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3/p+1