3-[[(3S)-1-(4-aminophenyl)piperidin-3-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-(4-aminophenyl)piperidin-3-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-(4-aminophenyl)piperidine-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3S)-1-(4-aminophenyl)-3-piperidinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-(4-aminophenyl)piperidine-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-(4-aminophenyl)nipecotoyl]amino]propyl-dimethyl-ammonium Formula: C17H29N4O+ MolecularWeight: 305.43836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O/c1-20(2)11-4-10-19-17(22)14-5-3-12-21(13-14)16-8-6-15(18)7-9-16/h6-9,14H,3-5,10-13,18H2,1-2H3,(H,19,22)/p+1/t14-/m0/s1