3-[[(3S)-1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-[3-(2-methoxyphenyl)propanoyl]-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-1-[3-(2-methoxyphenyl)-1-oxopropyl]-3-piperidinyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-[3-(2-methoxyphenyl)propanoyl]-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C21H36N3O2+ MolecularWeight: 362.52944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C)C1CCCN(C1)C(=O)CCC2=CC=CC=C2OC

Isomeric SMILES

C[NH+](C)CCCN(C)[C@H]1CCCN(C1)C(=O)CCC2=CC=CC=C2OC

InChI

InChI=1S/C21H35N3O2/c1-22(2)14-8-15-23(3)19-10-7-16-24(17-19)21(25)13-12-18-9-5-6-11-20(18)26-4/h5-6,9,11,19H,7-8,10,12-17H2,1-4H3/p+1/t19-/m0/s1