[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone Traditional Name: (4-o-phenetylpiperazino)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone Formula: C27H38N3O2+ MolecularWeight: 436.60952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O2/c1-2-32-26-13-7-6-12-25(26)29-19-21-30(22-20-29)27(31)24-14-17-28(18-15-24)16-8-11-23-9-4-3-5-10-23/h3-7,9-10,12-13,24H,2,8,11,14-22H2,1H3/p+1