tert-butyl N-[3-oxidanylidene-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-oxo-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]carbamate CAS Name: N-[3-oxo-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]carbamate Traditional Name: N-[3-keto-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]propyl]carbamic acid tert-butyl ester Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCC2

InChI

InChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)21-11-10-18(24)22-14-16-6-8-17(9-7-16)15-23-12-4-5-13-23/h6-9H,4-5,10-15H2,1-3H3,(H,21,25)(H,22,24)/p+1