ethyl N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate

Systemtic Name: ethyl N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate Openeye Name: ethyl N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate CAS Name: N-[3-[oxo-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate Traditional Name: N-[3-[[4-(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=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C22H27N3O3/c1-2-28-22(27)24-20-7-5-6-19(14-20)21(26)23-15-17-8-10-18(11-9-17)16-25-12-3-4-13-25/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,23,26)(H,24,27)/p+1