(3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-N-[(5-methyl-2-thiophenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-carboxamide Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CNC(=O)C2CCC[NH+](C2)C3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC=C(S1)CNC(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H31N3O2S/c1-15-4-7-19(27-15)13-22-20(25)17-3-2-10-24(14-17)18-8-11-23(12-9-18)21(26)16-5-6-16/h4,7,16-18H,2-3,5-6,8-14H2,1H3,(H,22,25)/p+1/t17-/m0/s1