N-(4-ethylsulfonylphenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(4-ethylsulfonylphenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(4-ethylsulfonylphenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(4-ethylsulfonylphenyl)-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-(4-ethylsulfonylphenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(4-esylphenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H26N2O3S/c1-2-27(25,26)20-12-10-19(11-13-20)22-21(24)18-8-6-17(7-9-18)16-23-14-4-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)/p+1