ethyl-(pyridin-4-ylmethyl)-[(3S)-1-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidin-3-yl]azanium

Systemtic Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidin-3-yl]azanium Openeye Name: ethyl-(4-pyridylmethyl)-[(3S)-1-[(E)-3-(4-pyridyl)prop-2-enoyl]-3-piperidyl]ammonium CAS Name: ethyl-[(3S)-1-[(E)-1-oxo-3-pyridin-4-ylprop-2-enyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidin-3-yl]azanium Traditional Name: ethyl-[(3S)-1-[(E)-3-(4-pyridyl)acryloyl]-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C=CC3=CC=NC=C3

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C21H26N4O/c1-2-24(16-19-9-13-23-14-10-19)20-4-3-15-25(17-20)21(26)6-5-18-7-11-22-12-8-18/h5-14,20H,2-4,15-17H2,1H3/p+1/b6-5+/t20-/m0/s1