N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-[(3R)-1-[(3-methyl-2-thiophenyl)methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]propionamide Formula: C21H37N3OS+2 MolecularWeight: 379.60298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCCC(C2)CCC(=O)N(C)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC[C@@H](C2)CCC(=O)N(C)C3CC[NH+](CC3)C

InChI

InChI=1S/C21H35N3OS/c1-17-10-14-26-20(17)16-24-11-4-5-18(15-24)6-7-21(25)23(3)19-8-12-22(2)13-9-19/h10,14,18-19H,4-9,11-13,15-16H2,1-3H3/p+2/t18-/m1/s1