N-(1-methylpiperidin-1-ium-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(1-methylpiperidin-1-ium-4-yl)-3-(4-piperidinosulfonylphenyl)propionamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-22-15-11-18(12-16-22)21-20(24)10-7-17-5-8-19(9-6-17)27(25,26)23-13-3-2-4-14-23/h5-6,8-9,18H,2-4,7,10-16H2,1H3,(H,21,24)/p+1