[1-(phenylmethyl)piperidin-1-ium-4-yl]-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [1-(phenylmethyl)piperidin-1-ium-4-yl]-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: [1-(phenylmethyl)-4-piperidin-1-iumyl]-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C20H36N3+3 MolecularWeight: 318.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H33N3/c1-2-12-22-13-8-19(9-14-22)21-20-10-15-23(16-11-20)17-18-6-4-3-5-7-18/h3-7,19-21H,2,8-17H2,1H3/p+3