N-[4-[(2S)-butan-2-yl]phenyl]-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C21H23N2O+ MolecularWeight: 319.42012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O/c1-3-16(2)17-8-10-20(11-9-17)22-21(24)15-23-13-12-18-6-4-5-7-19(18)14-23/h4-14,16H,3,15H2,1-2H3/p+1/t16-/m0/s1