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

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-phenyl-benzamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-phenyl-benzamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-3-phenylbenzamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-phenylbenzamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-phenyl-benzamide Formula: C24H33N3O+2 MolecularWeight: 379.53832

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O/c1-26-15-12-23(13-16-26)27-14-6-11-22(18-27)25-24(28)21-10-5-9-20(17-21)19-7-3-2-4-8-19/h2-5,7-10,17,22-23H,6,11-16,18H2,1H3,(H,25,28)/p+2/t22-/m0/s1