ethyl-[(4-ethynylphenyl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: ethyl-[(4-ethynylphenyl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azanium Openeye Name: ethyl-[(4-ethynylphenyl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]ammonium CAS Name: ethyl-[(4-ethynylphenyl)methyl]-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: ethyl-[(4-ethynylphenyl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azanium Traditional Name: ethyl-(4-ethynylbenzyl)-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]ammonium Formula: C23H38N3+3 MolecularWeight: 356.56792

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CC[NH+](CC1)C2CC[NH+](CC2)C)CC3=CC=C(C=C3)C#C

Isomeric SMILES

CC[NH+](CC1CC[NH+](CC1)C2CC[NH+](CC2)C)CC3=CC=C(C=C3)C#C

InChI

InChI=1S/C23H35N3/c1-4-20-6-8-21(9-7-20)18-25(5-2)19-22-10-16-26(17-11-22)23-12-14-24(3)15-13-23/h1,6-9,22-23H,5,10-19H2,2-3H3/p+3