N-[4,5-dimethoxy-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4,5-dimethoxy-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4,5-dimethoxy-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4,5-dimethoxy-2-[oxo-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4,5-dimethoxy-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4,5-dimethoxy-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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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+]3CCCC3)NC(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)NC(=O)C4=CC=CS4)OC

InChI

InChI=1S/C26H29N3O4S/c1-32-22-14-20(21(15-23(22)33-2)28-26(31)24-6-5-13-34-24)25(30)27-16-18-7-9-19(10-8-18)17-29-11-3-4-12-29/h5-10,13-15H,3-4,11-12,16-17H2,1-2H3,(H,27,30)(H,28,31)/p+1