4-(azepan-1-ylsulfonyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzamide Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

InChI

InChI=1S/C25H33N3O4S/c29-25(26-19-22-7-3-4-8-23(22)20-27-15-17-32-18-16-27)21-9-11-24(12-10-21)33(30,31)28-13-5-1-2-6-14-28/h3-4,7-12H,1-2,5-6,13-20H2,(H,26,29)/p+1