2-[(3-methylpyridin-1-ium-2-yl)amino]ethyl-[1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2-[(3-methylpyridin-1-ium-2-yl)amino]ethyl-[1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]piperidin-4-yl]azanium Openeye Name: 2-[(3-methylpyridin-1-ium-2-yl)amino]ethyl-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-piperidyl]ammonium CAS Name: 2-[(3-methyl-2-pyridin-1-iumyl)amino]ethyl-[1-[4-(2-oxo-1-pyrrolidinyl)phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-[(3-methylpyridin-1-ium-2-yl)amino]ethyl-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-(2-ketopyrrolidino)phenyl]-4-piperidyl]-[2-[(3-methylpyridin-1-ium-2-yl)amino]ethyl]ammonium Formula: C23H33N5O+2 MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC=C1)NCC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

CC1=C([NH+]=CC=C1)NCC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C23H31N5O/c1-18-4-2-12-25-23(18)26-14-13-24-19-10-16-27(17-11-19)20-6-8-21(9-7-20)28-15-3-5-22(28)29/h2,4,6-9,12,19,24H,3,5,10-11,13-17H2,1H3,(H,25,26)/p+2