4-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methoxy-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-methoxy-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-3-pyrrolidinosulfonyl-benzamide Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H33N3O4S/c1-32-23-12-11-22(17-24(23)33(30,31)28-15-5-6-16-28)25(29)26-18-20-7-9-21(10-8-20)19-27-13-3-2-4-14-27/h7-12,17H,2-6,13-16,18-19H2,1H3,(H,26,29)/p+1