(3-chloranyl-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-allylpiperazin-4-ium-1-yl)-(3-chlorobenzothiophen-2-yl)methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-(4-prop-2-enyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-allylpiperazin-4-ium-1-yl)-(3-chlorobenzothiophen-2-yl)methanone Formula: C16H18ClN2OS+ MolecularWeight: 321.84492

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C=CC[NH+]1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H17ClN2OS/c1-2-7-18-8-10-19(11-9-18)16(20)15-14(17)12-5-3-4-6-13(12)21-15/h2-6H,1,7-11H2/p+1