(3-piperidin-1-ylsulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (3-piperidin-1-ylsulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [3-(1-piperidylsulfonyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [3-(1-piperidinylsulfonyl)phenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-piperidin-1-ylsulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (3-piperidinosulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C21H26N4O3S/c26-21(24-15-13-23(14-16-24)19-7-9-22-10-8-19)18-5-4-6-20(17-18)29(27,28)25-11-2-1-3-12-25/h4-10,17H,1-3,11-16H2/p+1