2-chloranyl-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 2-chloro-N-[2-[(2S)-1-methylpiperidin-1-ium-2-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-chloro-N-[2-[[(2S)-1-methyl-2-piperidin-1-iumyl]-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-chloro-N-[2-[(2S)-1-methylpiperidin-1-ium-2-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2-chloro-N-[2-[(2S)-1-methylpiperidin-1-ium-2-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCCC[C@H]1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H26ClN3O2/c1-26-12-5-4-8-21(26)23(29)27-13-11-16-9-10-18(14-17(16)15-27)25-22(28)19-6-2-3-7-20(19)24/h2-3,6-7,9-10,14,21H,4-5,8,11-13,15H2,1H3,(H,25,28)/p+1/t21-/m0/s1