N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]cycloheptanecarboxamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)N(CC[NH+]2CCCC2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

C1CCCC(CC1)C(=O)N(CC[NH+]2CCCC2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C22H32N2O3/c25-22(18-8-3-1-2-4-9-18)24(15-14-23-12-5-6-13-23)16-19-10-7-11-20-21(19)27-17-26-20/h7,10-11,18H,1-6,8-9,12-17H2/p+1