diethyl-phenylazanyl-[3-[1-(phenylmethyl)piperidin-3-yl]phenyl]carbonyl-azanium

Systemtic Name: diethyl-phenylazanyl-[3-[1-(phenylmethyl)piperidin-3-yl]phenyl]carbonyl-azanium Openeye Name: anilino-[3-(1-benzyl-3-piperidyl)benzoyl]-diethyl-ammonium CAS Name: anilino-diethyl-[oxo-[3-[1-(phenylmethyl)-3-piperidinyl]phenyl]methyl]ammonium IUPAC Name: anilino-[3-(1-benzylpiperidin-3-yl)benzoyl]-diethylazanium Traditional Name: anilino-[3-(1-benzyl-3-piperidyl)benzoyl]-diethyl-ammonium Formula: C29H36N3O+ MolecularWeight: 442.61564

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C(=O)C1=CC(=CC=C1)C2CCCN(C2)CC3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC[N+](CC)(C(=O)C1=CC(=CC=C1)C2CCCN(C2)CC3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C29H36N3O/c1-3-32(4-2,30-28-18-9-6-10-19-28)29(33)26-16-11-15-25(21-26)27-17-12-20-31(23-27)22-24-13-7-5-8-14-24/h5-11,13-16,18-19,21,27,30H,3-4,12,17,20,22-23H2,1-2H3/q+1