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

Systemtic Name: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-chloro-6-methyl-benzothiophen-2-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-chloro-6-methyl-benzothiophen-2-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C16H20ClN2OS+ MolecularWeight: 323.8608

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl

InChI

InChI=1S/C16H19ClN2OS/c1-3-18-6-8-19(9-7-18)16(20)15-14(17)12-5-4-11(2)10-13(12)21-15/h4-5,10H,3,6-9H2,1-2H3/p+1