N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C24H34N5O4S+ MolecularWeight: 488.62286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H33N5O4S/c1-33-22-9-8-20(17-23(22)34(31,32)29-11-5-2-6-12-29)26-24(30)19-28-15-13-27(14-16-28)18-21-7-3-4-10-25-21/h3-4,7-10,17H,2,5-6,11-16,18-19H2,1H3,(H,26,30)/p+1