(4-methyl-5-phenyl-thiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-methyl-5-phenyl-thiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-methyl-5-phenyl-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-methyl-5-phenyl-2-thiophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-methyl-5-phenylthiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-methyl-5-phenyl-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c1-16-15-18(26-20(16)17-7-3-2-4-8-17)21(25)24-13-11-23(12-14-24)19-9-5-6-10-22-19/h2-10,15H,11-14H2,1H3/p+1