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

Systemtic Name: 4-[(3S)-3-(phenethylcarbamoyl)piperidin-1-ium-1-yl]-N-prop-2-enyl-piperidine-1-carboxamide Openeye Name: N-allyl-4-[(3S)-3-(phenethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide CAS Name: 4-[(3S)-3-[oxo-(phenethylamino)methyl]-1-piperidin-1-iumyl]-N-prop-2-enyl-1-piperidinecarboxamide IUPAC Name: 4-[(3S)-3-(phenethylcarbamoyl)piperidin-1-ium-1-yl]-N-prop-2-enylpiperidine-1-carboxamide Traditional Name: N-allyl-4-[(3S)-3-(phenethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H34N4O2/c1-2-13-25-23(29)26-16-11-21(12-17-26)27-15-6-9-20(18-27)22(28)24-14-10-19-7-4-3-5-8-19/h2-5,7-8,20-21H,1,6,9-18H2,(H,24,28)(H,25,29)/p+1/t20-/m0/s1