1-(3-methoxyphenyl)-3-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]urea

Systemtic Name: 1-(3-methoxyphenyl)-3-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]urea CAS Name: 1-(3-methoxyphenyl)-3-[(2S)-3-methyl-2-(1-pyrrolidin-1-iumyl)butyl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-ylbutyl]urea Traditional Name: 1-(3-methoxyphenyl)-3-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]urea Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)NC1=CC(=CC=C1)OC)[NH+]2CCCC2

Isomeric SMILES

CC(C)[C@@H](CNC(=O)NC1=CC(=CC=C1)OC)[NH+]2CCCC2

InChI

InChI=1S/C17H27N3O2/c1-13(2)16(20-9-4-5-10-20)12-18-17(21)19-14-7-6-8-15(11-14)22-3/h6-8,11,13,16H,4-5,9-10,12H2,1-3H3,(H2,18,19,21)/p+1/t16-/m1/s1