1-[(R)-cyclopropyl(phenyl)methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[(R)-cyclopropyl(phenyl)methyl]-3-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]urea Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)NC(C3CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)N[C@H](C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4O/c26-21(24-20(18-9-10-18)17-6-2-1-3-7-17)23-15-16-8-11-19(22-14-16)25-12-4-5-13-25/h1-3,6-8,11,14,18,20H,4-5,9-10,12-13,15H2,(H2,23,24,26)/p+1/t20-/m0/s1