[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C24H33N4O4S+ MolecularWeight: 473.60822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C24H32N4O4S/c1-32-23-7-6-21(33(30,31)28-12-4-2-3-5-13-28)18-22(23)24(29)27-16-14-26(15-17-27)19-20-8-10-25-11-9-20/h6-11,18H,2-5,12-17,19H2,1H3/p+1