N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-[(3R)-1-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-(3-pyrazol-1-ylbenzyl)piperidin-1-ium-3-yl]propionamide Formula: C25H39N5O+2 MolecularWeight: 425.61006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CCC2CCC[NH+](C2)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C25H37N5O/c1-27-16-11-23(12-17-27)28(2)25(31)10-9-21-7-4-14-29(19-21)20-22-6-3-8-24(18-22)30-15-5-13-26-30/h3,5-6,8,13,15,18,21,23H,4,7,9-12,14,16-17,19-20H2,1-2H3/p+2/t21-/m1/s1