2-(azepan-1-yl)-N-phenethyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-(azepan-1-yl)-N-phenethyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-(azepan-1-yl)-N-phenethyl-pyridin-1-ium-3-carboxamide CAS Name: 2-(1-azepanyl)-N-phenethyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(azepan-1-yl)-N-phenethylpyridin-1-ium-3-carboxamide Traditional Name: 2-(azepan-1-yl)-N-phenethyl-pyridin-1-ium-3-carboxamide Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC=[NH+]2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC=[NH+]2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O/c24-20(22-14-12-17-9-4-3-5-10-17)18-11-8-13-21-19(18)23-15-6-1-2-7-16-23/h3-5,8-11,13H,1-2,6-7,12,14-16H2,(H,22,24)/p+1