(3S)-N,N-dimethyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-dimethyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-dimethyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-dimethyl-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-dimethyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-dimethyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C21H35N3O+2 MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O/c1-22(2)21(25)19-9-6-13-24(17-19)20-11-15-23(16-12-20)14-10-18-7-4-3-5-8-18/h3-5,7-8,19-20H,6,9-17H2,1-2H3/p+2/t19-/m0/s1