N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide

Systemtic Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide Openeye Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide CAS Name: N-ethyl-N-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-3-(1-pyrazolylmethyl)benzamide IUPAC Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide Traditional Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide Formula: C25H39N5O+2 MolecularWeight: 425.61006

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3=CC(=CC=C3)CN4C=CC=N4

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3=CC(=CC=C3)CN4C=CC=N4

InChI

InChI=1S/C25H37N5O/c1-3-28(19-21-8-16-29(17-9-21)24-10-14-27(2)15-11-24)25(31)23-7-4-6-22(18-23)20-30-13-5-12-26-30/h4-7,12-13,18,21,24H,3,8-11,14-17,19-20H2,1-2H3/p+2