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

Systemtic Name: (3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-prop-2-enyl-N-prop-2-ynyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-allyl-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-prop-2-ynyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-N-prop-2-enyl-N-prop-2-ynyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-prop-2-enyl-N-prop-2-ynylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-allyl-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-propargyl-piperidin-1-ium-3-carboxamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC#C)C(=O)C1CCC[NH+](C1)C2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

C=CCN(CC#C)C(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C21H31N3O2/c1-3-11-22(12-4-2)21(26)18-6-5-13-24(16-18)19-9-14-23(15-10-19)20(25)17-7-8-17/h1,4,17-19H,2,5-16H2/p+1/t18-/m0/s1