1-[(2R)-4-phenylbutan-2-yl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea

Systemtic Name: 1-[(2R)-4-phenylbutan-2-yl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-[(1R)-1-methyl-3-phenyl-propyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea CAS Name: 1-[(2R)-4-phenylbutan-2-yl]-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(2R)-4-phenylbutan-2-yl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-[(1R)-1-methyl-3-phenyl-propyl]-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]urea Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

InChI

InChI=1S/C21H28N4O/c1-17(9-10-18-7-3-2-4-8-18)24-21(26)23-16-19-11-12-22-20(15-19)25-13-5-6-14-25/h2-4,7-8,11-12,15,17H,5-6,9-10,13-14,16H2,1H3,(H2,23,24,26)/p+1/t17-/m1/s1