N-(3-methylbutyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-isopentyl-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[(3-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-methylbutyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-isoamyl-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxamide Formula: C17H29N2OS+ MolecularWeight: 309.48996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)NCCC(C)C

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)NCCC(C)C

InChI

InChI=1S/C17H28N2OS/c1-13(2)4-8-18-17(20)15-5-9-19(10-6-15)12-16-14(3)7-11-21-16/h7,11,13,15H,4-6,8-10,12H2,1-3H3,(H,18,20)/p+1