dimethyl-[2-[3-[1-[(2-oxidanylnaphthalen-1-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[1-[(2-oxidanylnaphthalen-1-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Openeye Name: 2-[3-[1-[(2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[1-[(2-hydroxy-1-naphthalenyl)methyl]-4-piperidin-1-iumyl]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethylazanium Traditional Name: 2-[3-[1-[(2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium Formula: C23H35N3O2+2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=C(C=CC3=CC=CC=C32)O

Isomeric SMILES

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C23H33N3O2/c1-25(2)16-13-24-23(28)10-7-18-11-14-26(15-12-18)17-21-20-6-4-3-5-19(20)8-9-22(21)27/h3-6,8-9,18,27H,7,10-17H2,1-2H3,(H,24,28)/p+2