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

Systemtic Name: 2-(azepan-1-yl)-N-cyclopentyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-(azepan-1-yl)-N-cyclopentyl-pyridin-1-ium-3-carboxamide CAS Name: 2-(1-azepanyl)-N-cyclopentyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(azepan-1-yl)-N-cyclopentylpyridin-1-ium-3-carboxamide Traditional Name: 2-(azepan-1-yl)-N-cyclopentyl-pyridin-1-ium-3-carboxamide Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC=[NH+]2)C(=O)NC3CCCC3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC=[NH+]2)C(=O)NC3CCCC3

InChI

InChI=1S/C17H25N3O/c21-17(19-14-8-3-4-9-14)15-10-7-11-18-16(15)20-12-5-1-2-6-13-20/h7,10-11,14H,1-6,8-9,12-13H2,(H,19,21)/p+1