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

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(4-o-phenetylpiperazino)methanone Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2/c1-2-30-24-11-7-6-10-23(24)27-16-18-28(19-17-27)25(29)22-12-14-26(15-13-22)20-21-8-4-3-5-9-21/h3-11,22H,2,12-20H2,1H3/p+1