[4-[butyl(methyl)amino]-1-(phenylmethyl)piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [4-[butyl(methyl)amino]-1-(phenylmethyl)piperidin-1-ium-4-yl]methylazanium Openeye Name: [1-benzyl-4-[butyl(methyl)amino]piperidin-1-ium-4-yl]methylammonium CAS Name: [4-[butyl(methyl)amino]-1-(phenylmethyl)-4-piperidin-1-iumyl]methylammonium IUPAC Name: [1-benzyl-4-[butyl(methyl)amino]piperidin-1-ium-4-yl]methylazanium Traditional Name: [1-benzyl-4-[butyl(methyl)amino]piperidin-1-ium-4-yl]methylammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1(CC[NH+](CC1)CC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

CCCCN(C)C1(CC[NH+](CC1)CC2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C18H31N3/c1-3-4-12-20(2)18(16-19)10-13-21(14-11-18)15-17-8-6-5-7-9-17/h5-9H,3-4,10-16,19H2,1-2H3/p+2