(3-methoxyphenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-methoxyphenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone CAS Name: (3-methoxyphenyl)-[(3S)-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-methoxyphenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Formula: C26H36N2O2+2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O2/c1-30-25-11-5-9-22(19-25)26(29)23-10-6-15-28(20-23)24-13-17-27(18-14-24)16-12-21-7-3-2-4-8-21/h2-5,7-9,11,19,23-24H,6,10,12-18,20H2,1H3/p+2/t23-/m0/s1