3-(dimethylamino)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 3-(dimethylamino)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Openeye Name: 3-(dimethylamino)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide CAS Name: 3-(dimethylamino)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-(dimethylamino)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Traditional Name: 3-(dimethylamino)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Formula: C20H34N4O+2 MolecularWeight: 346.51016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O/c1-22(2)19-8-4-6-16(14-19)20(25)21-17-7-5-11-24(15-17)18-9-12-23(3)13-10-18/h4,6,8,14,17-18H,5,7,9-13,15H2,1-3H3,(H,21,25)/p+2/t17-/m0/s1