5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(1-benzylpiperidin-1-ium-4-yl)-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(1-benzylpiperidin-1-ium-4-yl)-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(1-benzylpiperidin-1-ium-4-yl)-2-methoxy-benzamide Formula: C26H36N3O4S+ MolecularWeight: 486.64674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O4S/c1-33-25-12-11-23(34(31,32)29-15-7-2-3-8-16-29)19-24(25)26(30)27-22-13-17-28(18-14-22)20-21-9-5-4-6-10-21/h4-6,9-12,19,22H,2-3,7-8,13-18,20H2,1H3,(H,27,30)/p+1