[(3S)-1-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-[(2-ethoxy-2-oxo-ethyl)carbamoyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-[(2-ethoxy-2-oxoethyl)carbamoyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-[(2-ethoxy-2-keto-ethyl)carbamoyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)NCC(=O)OCC

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)NCC(=O)OCC

InChI

InChI=1S/C18H28N4O3/c1-3-21(13-15-7-9-19-10-8-15)16-6-5-11-22(14-16)18(24)20-12-17(23)25-4-2/h7-10,16H,3-6,11-14H2,1-2H3,(H,20,24)/p+1/t16-/m0/s1