2,3-dimethyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 2,3-dimethyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Openeye Name: 2,3-dimethyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide CAS Name: 2,3-dimethyl-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 2,3-dimethyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Traditional Name: 2,3-dimethyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Formula: C20H33N3O+2 MolecularWeight: 331.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)NC2CCC[NH+](C2)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)N[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C

InChI

InChI=1S/C20H31N3O/c1-15-6-4-8-19(16(15)2)20(24)21-17-7-5-11-23(14-17)18-9-12-22(3)13-10-18/h4,6,8,17-18H,5,7,9-14H2,1-3H3,(H,21,24)/p+2/t17-/m0/s1