(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-prop-2-enyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-prop-2-enyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-allyl-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N-prop-2-enyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-prop-2-enylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-allyl-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C21H33N3O+2 MolecularWeight: 343.50622

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O/c1-2-12-22-21(25)19-9-6-13-24(17-19)20-10-14-23(15-11-20)16-18-7-4-3-5-8-18/h2-5,7-8,19-20H,1,6,9-17H2,(H,22,25)/p+2/t19-/m0/s1