(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: (2-pyrrolidin-1-ylpyridin-1-ium-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (2-pyrrolidin-1-ylpyridin-1-ium-3-yl)-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [2-(1-pyrrolidinyl)-3-pyridin-1-iumyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: (2-pyrrolidin-1-ylpyridin-1-ium-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: (2-pyrrolidinopyridin-1-ium-3-yl)-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C18H23N4O3S2+ MolecularWeight: 407.53022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H22N4O3S2/c23-18(15-5-3-7-19-17(15)20-8-1-2-9-20)21-10-12-22(13-11-21)27(24,25)16-6-4-14-26-16/h3-7,14H,1-2,8-13H2/p+1