(3-morpholin-4-ylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-morpholinosulfonylphenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(4-morpholinylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-morpholinosulfonylphenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H26N4O4S/c26-21(24-10-8-23(9-11-24)17-18-4-6-22-7-5-18)19-2-1-3-20(16-19)30(27,28)25-12-14-29-15-13-25/h1-7,16H,8-15,17H2/p+1