N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3S/c29-25(26-23-14-18-27(19-15-23)20-22-6-2-1-3-7-22)13-10-21-8-11-24(12-9-21)32(30,31)28-16-4-5-17-28/h1-3,6-9,11-12,23H,4-5,10,13-20H2,(H,26,29)/p+1