dimethyl-[2-[[5-[(4S)-4-phenylazepan-1-yl]carbonylpyridin-2-yl]amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[5-[(4S)-4-phenylazepan-1-yl]carbonylpyridin-2-yl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[[5-[(4S)-4-phenylazepane-1-carbonyl]-2-pyridyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[5-[oxo-[(4S)-4-phenyl-1-azepanyl]methyl]-2-pyridinyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[5-[(4S)-4-phenylazepane-1-carbonyl]pyridin-2-yl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[5-[(4S)-4-phenylazepane-1-carbonyl]-2-pyridyl]amino]ethyl]ammonium Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=NC=C(C=C1)C(=O)N2CCCC(CC2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNC1=NC=C(C=C1)C(=O)N2CCC[C@@H](CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H30N4O/c1-25(2)16-13-23-21-11-10-20(17-24-21)22(27)26-14-6-9-19(12-15-26)18-7-4-3-5-8-18/h3-5,7-8,10-11,17,19H,6,9,12-16H2,1-2H3,(H,23,24)/p+1/t19-/m0/s1