N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3-oxidanylidene-propyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]amino]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]amino]-3-keto-propyl]thiophene-3-carboxamide Formula: C20H25ClN3O2S+ MolecularWeight: 406.9494

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCNC(=O)C2=CSC=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCNC(=O)C2=CSC=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O2S/c21-17-3-1-15(2-4-17)13-24-10-6-18(7-11-24)23-19(25)5-9-22-20(26)16-8-12-27-14-16/h1-4,8,12,14,18H,5-7,9-11,13H2,(H,22,26)(H,23,25)/p+1