1-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(2-methylphenyl)urea Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(o-tolyl)urea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(2-methylphenyl)urea Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(o-tolyl)urea Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O2/c1-16-7-3-4-8-19(16)23-21(25)22-15-20(24-13-5-6-14-24)17-9-11-18(26-2)12-10-17/h3-4,7-12,20H,5-6,13-15H2,1-2H3,(H2,22,23,25)/p+1/t20-/m0/s1