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

Systemtic Name: 1-tert-butyl-3-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea Openeye Name: 1-tert-butyl-3-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea CAS Name: 1-tert-butyl-3-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-tert-butyl-3-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]urea Traditional Name: 1-tert-butyl-3-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea Formula: C19H33N4O+ MolecularWeight: 333.49152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+]2CCCC2

Isomeric SMILES

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

InChI

InChI=1S/C19H32N4O/c1-19(2,3)21-18(24)20-14-17(23-12-6-7-13-23)15-8-10-16(11-9-15)22(4)5/h8-11,17H,6-7,12-14H2,1-5H3,(H2,20,21,24)/p+1/t17-/m1/s1