5-(cyclopropylcarbonylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-(cyclopropylcarbonylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 5-(cyclopropanecarbonylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: 5-[[cyclopropyl(oxo)methyl]amino]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-(cyclopropanecarbonylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: 5-(cyclopropanecarbonylamino)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiophene-2-carboxamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(S3)NC(=O)C4CC4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(S3)NC(=O)C4CC4

InChI

InChI=1S/C21H25N3O2S/c25-20(17-7-8-17)23-19-10-9-18(27-19)21(26)22-13-15-3-5-16(6-4-15)14-24-11-1-2-12-24/h3-6,9-10,17H,1-2,7-8,11-14H2,(H,22,26)(H,23,25)/p+1