4-(azepan-1-ylsulfonyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-19-11-17-24(18-12-19)14-6-13-23-22(26)20-7-9-21(10-8-20)29(27,28)25-15-4-2-3-5-16-25/h7-10,19H,2-6,11-18H2,1H3,(H,23,26)/p+1