[(3S)-1-(1-aminocarbonylcyclopropyl)carbonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-(1-aminocarbonylcyclopropyl)carbonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-(1-carbamoylcyclopropanecarbonyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-[(1-carbamoylcyclopropyl)-oxomethyl]-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(1-carbamoylcyclopropanecarbonyl)piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(1-carbamoylcyclopropanecarbonyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3(CC3)C(=O)N

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3(CC3)C(=O)N

InChI

InChI=1S/C18H26N4O2/c1-2-21(12-14-5-9-20-10-6-14)15-4-3-11-22(13-15)17(24)18(7-8-18)16(19)23/h5-6,9-10,15H,2-4,7-8,11-13H2,1H3,(H2,19,23)/p+1/t15-/m0/s1