(3S)-N-methyl-1-(1-methylpiperidin-1-ium-4-yl)-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-methyl-1-(1-methylpiperidin-1-ium-4-yl)-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-N-methyl-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-methyl-1-(1-methyl-4-piperidin-1-iumyl)-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-N-methyl-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-N-methyl-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C20H33N3O+2 MolecularWeight: 331.49552

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O/c1-21-13-10-19(11-14-21)23-12-6-9-18(16-23)20(24)22(2)15-17-7-4-3-5-8-17/h3-5,7-8,18-19H,6,9-16H2,1-2H3/p+2/t18-/m0/s1