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

Systemtic Name: N-prop-2-enyl-4-[(3S)-3-(pyridin-3-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Openeye Name: N-allyl-4-[(3S)-3-(3-pyridylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide CAS Name: 4-[(3S)-3-[oxo-(3-pyridinylmethylamino)methyl]-1-piperidin-1-iumyl]-N-prop-2-enyl-1-piperidinecarboxamide IUPAC Name: N-prop-2-enyl-4-[(3S)-3-(pyridin-3-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Traditional Name: N-allyl-4-[(3S)-3-(3-pyridylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Formula: C21H32N5O2+ MolecularWeight: 386.51108

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C=CCNC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H31N5O2/c1-2-9-23-21(28)25-12-7-19(8-13-25)26-11-4-6-18(16-26)20(27)24-15-17-5-3-10-22-14-17/h2-3,5,10,14,18-19H,1,4,6-9,11-13,15-16H2,(H,23,28)(H,24,27)/p+1/t18-/m0/s1