3-(4-methoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]propanamide Openeye Name: 3-(4-methoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]propanamide CAS Name: 3-(4-methoxyphenyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(4-methoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]propanamide Traditional Name: 3-(4-methoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]propionamide Formula: C21H35N3O2+2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H33N3O2/c1-23-14-11-19(12-15-23)24-13-3-4-18(16-24)22-21(25)10-7-17-5-8-20(26-2)9-6-17/h5-6,8-9,18-19H,3-4,7,10-16H2,1-2H3,(H,22,25)/p+2/t18-/m0/s1