[4-(azepan-1-ium-1-ylmethyl)phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-(azepan-1-ium-1-ylmethyl)phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-(azepan-1-ium-1-ylmethyl)phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-(1-azepan-1-iumylmethyl)phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-(azepan-1-ium-1-ylmethyl)phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(azepan-1-ium-1-ylmethyl)phenyl]-pyrrolidino-methanone Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C18H26N2O/c21-18(20-13-5-6-14-20)17-9-7-16(8-10-17)15-19-11-3-1-2-4-12-19/h7-10H,1-6,11-15H2/p+1