ethyl N-[4-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate

Systemtic Name: ethyl N-[4-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate Openeye Name: ethyl N-[4-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate CAS Name: N-[4-[oxo-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate Traditional Name: N-[4-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]phenyl]carbamic acid ethyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C22H27N3O3/c1-2-28-22(27)24-20-11-9-17(10-12-20)21(26)23-15-18-7-3-4-8-19(18)16-25-13-5-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,23,26)(H,24,27)/p+1