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

Systemtic Name: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-chloro-6-methyl-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-chloro-6-methyl-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C19H19ClN3OS+ MolecularWeight: 372.89166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)Cl

InChI

InChI=1S/C19H18ClN3OS/c1-13-5-6-14-15(12-13)25-18(17(14)20)19(24)23-10-8-22(9-11-23)16-4-2-3-7-21-16/h2-7,12H,8-11H2,1H3/p+1