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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCC(C1=CC=C(C=C1)OC)[NH+]2CCCC2

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-3-4-11-19-18(22)20-14-17(21-12-5-6-13-21)15-7-9-16(23-2)10-8-15/h7-10,17H,3-6,11-14H2,1-2H3,(H2,19,20,22)/p+1/t17-/m1/s1