(3S)-N-[(2-methoxyphenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(2-methoxyphenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(2-methoxyphenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(2-methoxyphenyl)methyl]-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(2-methoxyphenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-o-anisyl-piperidin-1-ium-3-carboxamide Formula: C20H33N3O2+2 MolecularWeight: 347.49492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=C3OC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3OC

InChI

InChI=1S/C20H31N3O2/c1-22-12-9-18(10-13-22)23-11-5-7-17(15-23)20(24)21-14-16-6-3-4-8-19(16)25-2/h3-4,6,8,17-18H,5,7,9-15H2,1-2H3,(H,21,24)/p+2/t17-/m0/s1