(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(2-thiophen-2-ylethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(2-thiophen-2-ylethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-[2-(2-thienyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-N-(2-thiophen-2-ylethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(2-thiophen-2-ylethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-[2-(2-thienyl)ethyl]piperidin-1-ium-3-carboxamide Formula: C20H35N3OS+2 MolecularWeight: 365.5764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCC3=CC=CS3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C20H33N3OS/c1-16(2)22-12-8-18(9-13-22)23-11-3-5-17(15-23)20(24)21-10-7-19-6-4-14-25-19/h4,6,14,16-18H,3,5,7-13,15H2,1-2H3,(H,21,24)/p+2/t17-/m0/s1