2-[[(3S)-1-(4-aminophenyl)piperidin-3-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1-(4-aminophenyl)piperidin-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1-(4-aminophenyl)piperidine-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(3S)-1-(4-aminophenyl)-3-piperidinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1-(4-aminophenyl)piperidine-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1-(4-aminophenyl)nipecotoyl]amino]ethyl-dimethyl-ammonium Formula: C16H27N4O+ MolecularWeight: 291.41178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O/c1-19(2)11-9-18-16(21)13-4-3-10-20(12-13)15-7-5-14(17)6-8-15/h5-8,13H,3-4,9-12,17H2,1-2H3,(H,18,21)/p+1/t13-/m0/s1