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

Systemtic Name: ethyl N-[4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate Openeye Name: ethyl N-[4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate CAS Name: N-[4-[oxo-[[2-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate Traditional Name: N-[4-[[2-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoyl]phenyl]carbamic acid ethyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C23H29N3O3/c1-2-29-23(28)25-21-12-10-18(11-13-21)22(27)24-16-19-8-4-5-9-20(19)17-26-14-6-3-7-15-26/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,24,27)(H,25,28)/p+1