N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(dimethylamino)-1-pyridin-1-iumyl]acetamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C19H26N3O+ MolecularWeight: 312.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C19H25N3O/c1-5-15(2)17-8-6-7-9-18(17)20-19(23)14-22-12-10-16(11-13-22)21(3)4/h6-13,15H,5,14H2,1-4H3/p+1/t15-/m0/s1