1-[1-(3-phenylpropyl)piperidin-4-yl]azepan-1-ium

Systemtic Name: 1-[1-(3-phenylpropyl)piperidin-4-yl]azepan-1-ium Openeye Name: 1-[1-(3-phenylpropyl)-4-piperidyl]azepan-1-ium CAS Name: 1-[1-(3-phenylpropyl)-4-piperidinyl]azepan-1-ium IUPAC Name: 1-[1-(3-phenylpropyl)piperidin-4-yl]azepan-1-ium Traditional Name: 1-[1-(3-phenylpropyl)-4-piperidyl]azepan-1-ium Formula: C20H33N2+ MolecularWeight: 301.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2)CCCC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)C2CCN(CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H32N2/c1-2-7-16-22(15-6-1)20-12-17-21(18-13-20)14-8-11-19-9-4-3-5-10-19/h3-5,9-10,20H,1-2,6-8,11-18H2/p+1