1'-(piperidin-1-ium-1-ylmethyl)spiro[1,3-dioxepane-2,3'-indole]-2'-one

Systemtic Name: 1'-(piperidin-1-ium-1-ylmethyl)spiro[1,3-dioxepane-2,3'-indole]-2'-one Openeye Name: 1'-(piperidin-1-ium-1-ylmethyl)spiro[1,3-dioxepane-2,3'-indoline]-2'-one CAS Name: 1'-(1-piperidin-1-iumylmethyl)-2'-spiro[1,3-dioxepane-2,3'-indole]one IUPAC Name: 1'-(piperidin-1-ium-1-ylmethyl)spiro[1,3-dioxepane-2,3'-indole]-2'-one Traditional Name: 1'-(piperidin-1-ium-1-ylmethyl)spiro[1,3-dioxepane-2,3'-indoline]-2'-one Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C4(C2=O)OCCCCO4

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3C4(C2=O)OCCCCO4

InChI

InChI=1S/C18H24N2O3/c21-17-18(22-12-6-7-13-23-18)15-8-2-3-9-16(15)20(17)14-19-10-4-1-5-11-19/h2-3,8-9H,1,4-7,10-14H2/p+1