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

Systemtic Name: (3S)-N-prop-2-enyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-allyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-prop-2-enyl-1-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-prop-2-enyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-allyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C20H32N4O+2 MolecularWeight: 344.49428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O/c1-2-9-22-20(25)18-4-3-12-24(16-18)19-7-13-23(14-8-19)15-17-5-10-21-11-6-17/h2,5-6,10-11,18-19H,1,3-4,7-9,12-16H2,(H,22,25)/p+2/t18-/m0/s1