N-[4-(azepan-1-yl)phenyl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C18H27N3O/c22-18(15-20-11-5-6-12-20)19-16-7-9-17(10-8-16)21-13-3-1-2-4-14-21/h7-10H,1-6,11-15H2,(H,19,22)/p+1