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

Systemtic Name: dimethyl-[2-[3-[1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Openeye Name: dimethyl-[2-[3-[1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[1-oxo-3-[1-[(4-phenylphenyl)methyl]-4-piperidin-1-iumyl]propyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[3-[1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Traditional Name: dimethyl-[2-[3-[1-(4-phenylbenzyl)piperidin-1-ium-4-yl]propanoylamino]ethyl]ammonium Formula: C25H37N3O+2 MolecularWeight: 395.58078

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H35N3O/c1-27(2)19-16-26-25(29)13-10-21-14-17-28(18-15-21)20-22-8-11-24(12-9-22)23-6-4-3-5-7-23/h3-9,11-12,21H,10,13-20H2,1-2H3,(H,26,29)/p+2