N-[4-oxidanylidene-4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]butyl]thiophene-2-carboxamide Openeye Name: N-[4-oxo-4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]butyl]thiophene-2-carboxamide CAS Name: N-[4-oxo-4-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]butyl]-2-thiophenecarboxamide IUPAC Name: N-[4-oxo-4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]butyl]thiophene-2-carboxamide Traditional Name: N-[4-keto-4-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]amino]butyl]thiophene-2-carboxamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCCNC(=O)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCCNC(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N3O2S/c26-21(7-4-12-23-22(27)20-6-5-15-28-20)24-16-18-8-10-19(11-9-18)17-25-13-2-1-3-14-25/h5-6,8-11,15H,1-4,7,12-14,16-17H2,(H,23,27)(H,24,26)/p+1