carboxy-(1-phenethylpiperidin-4-yl)-phenyl-propanoyl-azanium

Systemtic Name: carboxy-(1-phenethylpiperidin-4-yl)-phenyl-propanoyl-azanium Openeye Name: carboxy-(1-phenethyl-4-piperidyl)-phenyl-propanoyl-ammonium CAS Name: carboxy-(1-oxopropyl)-(1-phenethyl-4-piperidinyl)-phenylammonium IUPAC Name: carboxy-(1-phenethylpiperidin-4-yl)-phenyl-propanoylazanium Traditional Name: carboxy-(1-phenethyl-4-piperidyl)-phenyl-propionyl-ammonium Formula: C23H29N2O3+ MolecularWeight: 381.48796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+](C1CCN(CC1)CCC2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(=O)[N+](C1CCN(CC1)CCC2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H28N2O3/c1-2-22(26)25(23(27)28,20-11-7-4-8-12-20)21-14-17-24(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3/p+1