diethyl-[2-[methyl-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonyl-amino]ethyl]azanium

Systemtic Name: diethyl-[2-[methyl-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[methyl-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[methyl-[oxo-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[methyl-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[methyl-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]amino]ethyl]ammonium Formula: C27H41N3O2+2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C)C(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C)C(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C27H39N3O2/c1-4-29(5-2)22-21-28(3)27(31)24-11-13-25(14-12-24)32-26-16-19-30(20-17-26)18-15-23-9-7-6-8-10-23/h6-14,26H,4-5,15-22H2,1-3H3/p+2