5-(cyclopropylcarbonylamino)-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide

Systemtic Name: 5-(cyclopropylcarbonylamino)-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(cyclopropanecarbonylamino)-3-methyl-thiophene-2-carboxamide CAS Name: 5-[[cyclopropyl(oxo)methyl]amino]-3-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(cyclopropanecarbonylamino)-3-methyl-thiophene-2-carboxamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2CC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2CC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2S/c1-15-13-19(24-21(26)17-7-8-17)28-20(15)22(27)23-18-9-11-25(12-10-18)14-16-5-3-2-4-6-16/h2-6,13,17-18H,7-12,14H2,1H3,(H,23,27)(H,24,26)/p+1