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

Systemtic Name: (2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-methyl-5-(1-piperidylsulfonyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-methyl-5-(1-piperidinylsulfonyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-piperidin-1-ylsulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2-methyl-5-piperidinosulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H28N4O3S/c1-18-8-9-19(30(28,29)26-11-5-2-6-12-26)17-20(18)22(27)25-15-13-24(14-16-25)21-7-3-4-10-23-21/h3-4,7-10,17H,2,5-6,11-16H2,1H3/p+1