1,3-dimethyl-5,8-di(piperidin-1-yl)cyclohepta[c]pyrrol-2-ium perchlorate

Systemtic Name: 1,3-dimethyl-5,8-di(piperidin-1-yl)cyclohepta[c]pyrrol-2-ium perchlorate Openeye Name: 1,3-dimethyl-5,8-bis(1-piperidyl)cyclohepta[c]pyrrol-2-ium perchlorate CAS Name: 1,3-dimethyl-5,8-bis(1-piperidinyl)cyclohepta[c]pyrrol-2-ium perchlorate IUPAC Name: 1,3-dimethyl-5,8-di(piperidin-1-yl)cyclohepta[c]pyrrol-2-ium perchlorate Traditional Name: 1,3-dimethyl-5,8-dipiperidino-cyclohepta[c]pyrrol-2-ium perchlorate Formula: C21H30ClN3O4 MolecularWeight: 423.9336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC(=C2C(=[NH+]1)C)N3CCCCC3)N4CCCCC4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C2C=C(C=CC(=C2C(=[NH+]1)C)N3CCCCC3)N4CCCCC4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H29N3.ClHO4/c1-16-19-15-18(23-11-5-3-6-12-23)9-10-20(21(19)17(2)22-16)24-13-7-4-8-14-24;2-1(3,4)5/h9-10,15H,3-8,11-14H2,1-2H3;(H,2,3,4,5)