(3S)-1-(1-pent-4-enoylpiperidin-4-yl)-N-phenethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-pent-4-enoylpiperidin-4-yl)-N-phenethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-pent-4-enoyl-4-piperidyl)-N-phenethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1-oxopent-4-enyl)-4-piperidinyl]-N-phenethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-pent-4-enoylpiperidin-4-yl)-N-phenethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-pent-4-enoyl-4-piperidyl)-N-phenethyl-piperidin-1-ium-3-carboxamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O2/c1-2-3-11-23(28)26-17-13-22(14-18-26)27-16-7-10-21(19-27)24(29)25-15-12-20-8-5-4-6-9-20/h2,4-6,8-9,21-22H,1,3,7,10-19H2,(H,25,29)/p+1/t21-/m0/s1