dimethyl-[2-[[(3R)-1-(2-methylfuran-3-yl)carbonylpiperidin-3-yl]carbonyl-(phenylmethyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(3R)-1-(2-methylfuran-3-yl)carbonylpiperidin-3-yl]carbonyl-(phenylmethyl)amino]ethyl]azanium Openeye Name: 2-[benzyl-[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[[(3R)-1-[(2-methyl-3-furanyl)-oxomethyl]-3-piperidinyl]-oxomethyl]-(phenylmethyl)amino]ethyl]ammonium IUPAC Name: 2-[benzyl-[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[(3R)-1-(2-methyl-3-furoyl)nipecotoyl]amino]ethyl-dimethyl-ammonium Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCCC(C2)C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CCC[C@H](C2)C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3/c1-18-21(11-15-29-18)23(28)25-12-7-10-20(17-25)22(27)26(14-13-24(2)3)16-19-8-5-4-6-9-19/h4-6,8-9,11,15,20H,7,10,12-14,16-17H2,1-3H3/p+1/t20-/m1/s1