[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(1-naphthylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[1-(1-naphthalenylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: [1-(1-naphthylmethyl)piperidin-1-ium-4-yl]-(4-o-phenetylpiperazino)methanone Formula: C29H36N3O2+ MolecularWeight: 458.61504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H35N3O2/c1-2-34-28-13-6-5-12-27(28)31-18-20-32(21-19-31)29(33)24-14-16-30(17-15-24)22-25-10-7-9-23-8-3-4-11-26(23)25/h3-13,24H,2,14-22H2,1H3/p+1