dimethyl-[2-[3-[(2-methylfuran-3-yl)carbonyl-propyl-amino]propanoyl-(phenylmethyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[(2-methylfuran-3-yl)carbonyl-propyl-amino]propanoyl-(phenylmethyl)amino]ethyl]azanium Openeye Name: 2-[benzyl-[3-[(2-methylfuran-3-carbonyl)-propyl-amino]propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[3-[[(2-methyl-3-furanyl)-oxomethyl]-propylamino]-1-oxopropyl]-(phenylmethyl)amino]ethyl]ammonium IUPAC Name: 2-[benzyl-[3-[(2-methylfuran-3-carbonyl)-propylamino]propanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[3-[(2-methyl-3-furoyl)-propyl-amino]propanoyl]amino]ethyl-dimethyl-ammonium Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1)C(=O)C2=C(OC=C2)C

Isomeric SMILES

CCCN(CCC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1)C(=O)C2=C(OC=C2)C

InChI

InChI=1S/C23H33N3O3/c1-5-13-25(23(28)21-12-17-29-19(21)2)14-11-22(27)26(16-15-24(3)4)18-20-9-7-6-8-10-20/h6-10,12,17H,5,11,13-16,18H2,1-4H3/p+1