(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)-[1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (2-oxidanyl-2-prop-2-enyl-pent-4-enyl)-[1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (2-allyl-2-hydroxy-pent-4-enyl)-[1-[3-(pyridine-3-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: (2-hydroxy-2-prop-2-enylpent-4-enyl)-[1-[3-[[oxo(3-pyridinyl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (2-hydroxy-2-prop-2-enylpent-4-enyl)-[1-[3-(pyridine-3-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: (2-allyl-2-hydroxy-pent-4-enyl)-[1-(3-nicotinamidophenyl)-4-piperidyl]ammonium Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(C[NH2+]C1CCN(CC1)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3)O

Isomeric SMILES

C=CCC(CC=C)(C[NH2+]C1CCN(CC1)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3)O

InChI

InChI=1S/C25H32N4O2/c1-3-12-25(31,13-4-2)19-27-21-10-15-29(16-11-21)23-9-5-8-22(17-23)28-24(30)20-7-6-14-26-18-20/h3-9,14,17-18,21,27,31H,1-2,10-13,15-16,19H2,(H,28,30)/p+1