dimethyl-[3-[[5-[(4S)-4-phenylazepan-1-yl]carbonylpyridin-2-yl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[5-[(4S)-4-phenylazepan-1-yl]carbonylpyridin-2-yl]amino]propyl]azanium Openeye Name: dimethyl-[3-[[5-[(4S)-4-phenylazepane-1-carbonyl]-2-pyridyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[5-[oxo-[(4S)-4-phenyl-1-azepanyl]methyl]-2-pyridinyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[5-[(4S)-4-phenylazepane-1-carbonyl]pyridin-2-yl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[5-[(4S)-4-phenylazepane-1-carbonyl]-2-pyridyl]amino]propyl]ammonium Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC=C(C=C1)C(=O)N2CCCC(CC2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCNC1=NC=C(C=C1)C(=O)N2CCC[C@@H](CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H32N4O/c1-26(2)15-7-14-24-22-12-11-21(18-25-22)23(28)27-16-6-10-20(13-17-27)19-8-4-3-5-9-19/h3-5,8-9,11-12,18,20H,6-7,10,13-17H2,1-2H3,(H,24,25)/p+1/t20-/m0/s1