[(3S)-1-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[(3-ethoxy-3-oxo-propyl)carbamoyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[[(3-ethoxy-3-oxopropyl)amino]-oxomethyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[(3-ethoxy-3-oxopropyl)carbamoyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[(3-ethoxy-3-keto-propyl)carbamoyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)N1CCCC(C1)[NH+](C)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCNC(=O)N1CCC[C@@H](C1)[NH+](C)CCC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O3/c1-3-26-19(24)11-13-21-20(25)23-14-7-10-18(16-23)22(2)15-12-17-8-5-4-6-9-17/h4-6,8-9,18H,3,7,10-16H2,1-2H3,(H,21,25)/p+1/t18-/m0/s1