[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-(pyridin-4-ylmethyl)-(thiophen-3-ylmethyl)azanium

Systemtic Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-(pyridin-4-ylmethyl)-(thiophen-3-ylmethyl)azanium Openeye Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-(4-pyridylmethyl)-(3-thienylmethyl)ammonium CAS Name: [1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl-(pyridin-4-ylmethyl)-(3-thiophenylmethyl)ammonium IUPAC Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-(pyridin-4-ylmethyl)-(thiophen-3-ylmethyl)azanium Traditional Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-(4-pyridylmethyl)-(3-thenyl)ammonium Formula: C20H31N3OS+2 MolecularWeight: 361.54464

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CSC=C3

Isomeric SMILES

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CSC=C3

InChI

InChI=1S/C20H29N3OS/c1-24-12-11-22-9-4-19(5-10-22)15-23(16-20-6-13-25-17-20)14-18-2-7-21-8-3-18/h2-3,6-8,13,17,19H,4-5,9-12,14-16H2,1H3/p+2