(4-ethylphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (4-ethylphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (4-ethylphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (4-ethylphenyl)methyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidinyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (4-ethylphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (4-ethylbenzyl)-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]-(4-pyridylmethyl)ammonium Formula: C27H42N4+2 MolecularWeight: 422.64918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](CC2CCN(CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](CC2CCN(CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

InChI

InChI=1S/C27H40N4/c1-3-23-4-6-24(7-5-23)20-30(21-25-8-14-28-15-9-25)22-26-10-18-31(19-11-26)27-12-16-29(2)17-13-27/h4-9,14-15,26-27H,3,10-13,16-22H2,1-2H3/p+2