1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[1-[4-(2-furyl)phenyl]-4-piperidyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[1-[4-(2-furanyl)phenyl]-4-piperidinyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[1-[4-(2-furyl)phenyl]-4-piperidyl]-1,4-diazepan-1-ium-5-one Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCC(=O)NCC2)C3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

C1CN(CCC1[NH+]2CCC(=O)NCC2)C3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C20H25N3O2/c24-20-9-13-23(14-10-21-20)18-7-11-22(12-8-18)17-5-3-16(4-6-17)19-2-1-15-25-19/h1-6,15,18H,7-14H2,(H,21,24)/p+1