methyl-[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[(3S)-1-[(4-phenoxyphenyl)carbamoyl]-3-piperidyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[(3S)-1-[oxo-(4-phenoxyanilino)methyl]-3-piperidinyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: methyl-[(3S)-1-[(4-phenoxyphenyl)carbamoyl]-3-piperidyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2/c1-29(19-16-21-8-5-6-17-27-21)23-9-7-18-30(20-23)26(31)28-22-12-14-25(15-13-22)32-24-10-3-2-4-11-24/h2-6,8,10-15,17,23H,7,9,16,18-20H2,1H3,(H,28,31)/p+1/t23-/m0/s1