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

Systemtic Name: 3-(dimethylazaniumyl)propyl-[(3S)-1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]-methyl-azanium Openeye Name: 3-(dimethylammonio)propyl-[(3S)-1-[3-(2-methoxyphenyl)propanoyl]-3-piperidyl]-methyl-ammonium CAS Name: 3-(dimethylammonio)propyl-[(3S)-1-[3-(2-methoxyphenyl)-1-oxopropyl]-3-piperidinyl]-methylammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-[(3S)-1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]-methylazanium Traditional Name: 3-(dimethylammonio)propyl-[(3S)-1-[3-(2-methoxyphenyl)propanoyl]-3-piperidyl]-methyl-ammonium Formula: C21H37N3O2+2 MolecularWeight: 363.53738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](C)CCC[NH+](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+2/t19-/m0/s1