N-(1-cyclopropylpiperidin-1-ium-4-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1-cyclopropyl-4-piperidin-1-iumyl)-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)C3CC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)C3CC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H29N3O4S/c1-27-18-7-4-15(14-19(18)28(25,26)23-10-2-3-11-23)20(24)21-16-8-12-22(13-9-16)17-5-6-17/h4,7,14,16-17H,2-3,5-6,8-13H2,1H3,(H,21,24)/p+1