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

Systemtic Name: (3S)-1-(1-pent-4-enoylpiperidin-4-yl)-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-(1-pent-4-enoyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1-oxopent-4-enyl)-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-(1-pent-4-enoylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-(1-pent-4-enoyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2/c1-2-3-11-22(27)25-15-12-21(13-16-25)26-14-7-10-20(18-26)23(28)24-17-19-8-5-4-6-9-19/h2,4-6,8-9,20-21H,1,3,7,10-18H2,(H,24,28)/p+1/t20-/m0/s1