1-[(3S)-1-oxidanidyl-1-azoniabicyclo[2.2.2]octan-3-yl]-3-(1-phenethylpyrrolidin-3-yl)urea

Systemtic Name: 1-[(3S)-1-oxidanidyl-1-azoniabicyclo[2.2.2]octan-3-yl]-3-(1-phenethylpyrrolidin-3-yl)urea Openeye Name: 1-[(3S)-1-oxidoquinuclidin-1-ium-3-yl]-3-(1-phenethylpyrrolidin-3-yl)urea CAS Name: 1-[(3S)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]-3-(1-phenethyl-3-pyrrolidinyl)urea IUPAC Name: 1-[(3S)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]-3-(1-phenethylpyrrolidin-3-yl)urea Traditional Name: 1-[(3S)-1-oxidoquinuclidin-1-ium-3-yl]-3-(1-phenethylpyrrolidin-3-yl)urea Formula: C20H30N4O2 MolecularWeight: 358.4778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)NC2C[N+]3(CCC2CC3)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)N[C@@H]2C[N+]3(CCC2CC3)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C20H30N4O2/c25-20(22-19-15-24(26)12-8-17(19)9-13-24)21-18-7-11-23(14-18)10-6-16-4-2-1-3-5-16/h1-5,17-19H,6-15H2,(H2,21,22,25)/t17?,18?,19-,24?/m1/s1