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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O2/c1-16-5-9-18(10-6-16)23-21(25)22-15-20(24-13-3-4-14-24)17-7-11-19(26-2)12-8-17/h5-12,20H,3-4,13-15H2,1-2H3,(H2,22,23,25)/p+1/t20-/m1/s1