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

Systemtic Name: (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-methyl-5-morpholinosulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-methyl-5-(4-morpholinylsulfonyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2-methyl-5-morpholinosulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26N4O4S/c1-17-5-6-18(30(27,28)25-12-14-29-15-13-25)16-19(17)21(26)24-10-8-23(9-11-24)20-4-2-3-7-22-20/h2-7,16H,8-15H2,1H3/p+1