(E)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-3-pyridin-4-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-3-pyridin-4-yl-prop-2-en-1-one Openeye Name: (E)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]-3-(4-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]-3-pyridin-4-yl-2-propen-1-one IUPAC Name: (E)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one Traditional Name: (E)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]-3-(4-pyridyl)prop-2-en-1-one Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=NC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)/C=C/C2=CC=NC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O/c28-23(9-8-20-10-12-24-13-11-20)27-14-4-7-22(19-27)26-17-15-25(16-18-26)21-5-2-1-3-6-21/h1-3,5-6,8-13,22H,4,7,14-19H2/p+1/b9-8+/t22-/m0/s1