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

Systemtic Name: tert-butyl N-[4-oxidanylidene-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butyl]carbamate Openeye Name: tert-butyl N-[4-oxo-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butyl]carbamate CAS Name: N-[4-oxo-4-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-oxo-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butyl]carbamate Traditional Name: N-[4-keto-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]butyl]carbamic acid tert-butyl ester Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3/c1-21(2,3)27-20(26)22-12-6-7-19(25)23-15-17-8-10-18(11-9-17)16-24-13-4-5-14-24/h8-11H,4-7,12-16H2,1-3H3,(H,22,26)(H,23,25)/p+1