3-[[(3S)-1-[3-(dimethylamino)phenyl]carbonylpiperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-[3-(dimethylamino)phenyl]carbonylpiperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-[3-(dimethylamino)benzoyl]-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-1-[[3-(dimethylamino)phenyl]-oxomethyl]-3-piperidinyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-[3-(dimethylamino)benzoyl]-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C20H35N4O+ MolecularWeight: 347.5181

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C)C1CCCN(C1)C(=O)C2=CC(=CC=C2)N(C)C

Isomeric SMILES

C[NH+](C)CCCN(C)[C@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)N(C)C

InChI

InChI=1S/C20H34N4O/c1-21(2)12-8-13-23(5)19-11-7-14-24(16-19)20(25)17-9-6-10-18(15-17)22(3)4/h6,9-10,15,19H,7-8,11-14,16H2,1-5H3/p+1/t19-/m0/s1