[4-(hydroxymethyl)piperidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone

Systemtic Name: [4-(hydroxymethyl)piperidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Openeye Name: [4-(hydroxymethyl)-1-piperidyl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone CAS Name: [4-(hydroxymethyl)-1-piperidinyl]-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methanone IUPAC Name: [4-(hydroxymethyl)piperidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Traditional Name: (4-methylolpiperidino)-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Formula: C26H35N2O3+ MolecularWeight: 423.5677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)N3CCC(CC3)CO)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)N3CCC(CC3)CO)CCC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O3/c29-20-22-11-18-28(19-12-22)26(30)23-6-8-24(9-7-23)31-25-13-16-27(17-14-25)15-10-21-4-2-1-3-5-21/h1-9,22,25,29H,10-20H2/p+1