[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(5-methylthiophen-2-yl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(5-methylthiophen-2-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(5-methyl-2-thienyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: [1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl-[(5-methyl-2-thiophenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(5-methylthiophen-2-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(5-methyl-2-thienyl)methyl]-(4-pyridylmethyl)ammonium Formula: C21H33N3OS+2 MolecularWeight: 375.57122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+](CC2CC[NH+](CC2)CCOC)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(S1)C[NH+](CC2CC[NH+](CC2)CCOC)CC3=CC=NC=C3

InChI

InChI=1S/C21H31N3OS/c1-18-3-4-21(26-18)17-24(15-19-5-9-22-10-6-19)16-20-7-11-23(12-8-20)13-14-25-2/h3-6,9-10,20H,7-8,11-17H2,1-2H3/p+2