(4-piperidin-1-ylsulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-piperidin-1-ylsulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(1-piperidylsulfonyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-(1-piperidinylsulfonyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-piperidin-1-ylsulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-piperidinosulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26N4O3S/c26-21(24-16-14-23(15-17-24)20-6-2-3-11-22-20)18-7-9-19(10-8-18)29(27,28)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-17H2/p+1