N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-4-(4-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-4-(4-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-4-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-4-(4-methylpiperidino)sulfonyl-benzamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C)(C)[NH+]3CCCCC3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C)(C)[NH+]3CCCCC3

InChI

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