(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (5-piperidinosulfonyl-2-pyrrolidino-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C25H34N5O3S+ MolecularWeight: 484.63416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H33N5O3S/c31-25(29-18-16-28(17-19-29)24-8-2-3-11-26-24)22-20-21(9-10-23(22)27-12-6-7-13-27)34(32,33)30-14-4-1-5-15-30/h2-3,8-11,20H,1,4-7,12-19H2/p+1