(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)-N-prop-2-enyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-phenethylpiperidin-1-ium-4-yl)-N-prop-2-enyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-allyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-phenethyl-4-piperidin-1-iumyl)-N-prop-2-enyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-phenethylpiperidin-1-ium-4-yl)-N-prop-2-enylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-allyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C22H35N3O+2 MolecularWeight: 357.5328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O/c1-2-13-23-22(26)20-9-6-14-25(18-20)21-11-16-24(17-12-21)15-10-19-7-4-3-5-8-19/h2-5,7-8,20-21H,1,6,9-18H2,(H,23,26)/p+2/t20-/m0/s1