1-(phenylmethyl)-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-(phenylmethyl)-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-benzyl-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea CAS Name: 1-(phenylmethyl)-3-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-benzyl-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-benzyl-3-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]urea Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O/c23-18(20-12-15-6-2-1-3-7-15)21-14-16-8-9-17(19-13-16)22-10-4-5-11-22/h1-3,6-9,13H,4-5,10-12,14H2,(H2,20,21,23)/p+1