1-(3-methoxyphenyl)-3-[(2S)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]urea

Systemtic Name: 1-(3-methoxyphenyl)-3-[(2S)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[(2S)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]urea CAS Name: 1-(3-methoxyphenyl)-3-[(2S)-4-methyl-2-(1-pyrrolidin-1-iumyl)pentyl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[(2S)-4-methyl-2-pyrrolidin-1-ium-1-ylpentyl]urea Traditional Name: 1-(3-methoxyphenyl)-3-[(2S)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]urea Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-14(2)11-16(21-9-4-5-10-21)13-19-18(22)20-15-7-6-8-17(12-15)23-3/h6-8,12,14,16H,4-5,9-11,13H2,1-3H3,(H2,19,20,22)/p+1/t16-/m0/s1